Мебель Александр Моисеевич

Scopus/WoS

2024

• 1 Savchenkova A.S., Chechet I.V., Matveev S.G. etc. Reaction mechanism of pyridine radicals with molecular oxygen: A theoretical study // Computational and Theoretical Chemistry 2024. — Vol. 1241.

2022

• 1 He C., Fujioka K., Nikolaev A. etc. A chemical dynamics study of the reaction of the methylidyne radical (CH, X2Π) with dimethylacetylene (CH3CCCH3, X1A1g) // Physical Chemistry Chemical Physics 2022. — Vol. 24. Issue 1. — P. 578-593
• 2 Di S., Liu W., Guo C. etc. Hierarchical porous N-doped carbon-supported PtCu nanoparticles as an efficient catalyst for oxygen reduction reaction // Journal of Power Sources 2022. — Vol. 533.
• 3 Savchenkova A.S., Semenikhin A. S. , Chechet I.V. etc. Mechanism of E-bridge formation by various PAH molecules: A theoretical study // Chemical Physics Letters 2022. — Vol. 799.
• 4 Zhou C.-W., Farooq A., Yang L. etc. Combustion chemistry of alkenes and alkadienes // Progress in Energy and Combustion Science 2022. — Vol. 90.
• 5 Kaiser R.I., Zhao L., Lu W. etc. Unconventional excited-state dynamics in the concerted benzyl (C7H7) radical self-reaction to anthracene (C14H10) // Nature Communications 2022. — Vol. 13. Issue 1.
• 6 Torbin A.P., Demyanov A.V., Kochetov I.V. etc. Ozone production in a dielectric barrier discharge in air- and oxygen-methane mixtures. Experiment and modeling // Plasma Sources Science and Technology 2022. — Vol. 31. Issue 3.
• 7 Kaiser R.I., Zhao L., Lu W. etc. Formation of Benzene and Naphthalene through Cyclopentadienyl-Mediated Radical-Radical Reactions // Journal of Physical Chemistry Letters 2022. — P. 208-213
• 8 Goettl S.J., He C., Paul D. etc. Gas-Phase Study of the Elementary Reaction of the D1-Ethynyl Radical (C2D; X2ς+) with Propylene (C3H6; X1A′) under Single-Collision Conditions // Journal of Physical Chemistry A 2022. — Vol. 126. Issue 11. — P. 1889-1898
• 9 Vinogradov K.Y., Bulanova A.V., Shafigulin R.V. etc. Density Functional Theory Study of the Oxygen Reduction Reaction Mechanism on Graphene Doped with Nitrogen and a Transition Metal // ACS Omega 2022. — Vol. 7. Issue 8. — P. 7066-7073
• 10 Torbin A.P., Demyanov A.V., Kochetov I.V. etc. Ozone production in a dielectric barrier discharge in air- and oxygen-methane mixtures. Experiment and modeling // PLASMA SOURCES SCIENCE & TECHNOLOGY 2022. — Vol. 31. Issue 3. № 3.
• 11 Galimova G. R. , Medvedkov Ya. A. , Mebel A.M. The Role of Methylaryl Radicals in the Growth of Polycyclic Aromatic Hydrocarbons: The Formation of Five-Membered Rings // Journal of Physical Chemistry A 2022. —
• 12 He C., Goettl S.J., Yang Z. etc. Gas-Phase Preparation of Subvalent Germanium Monoxide (GeO, X1Σ+) via Non-Adiabatic Reaction Dynamics in the Exit Channel // Journal of Physical Chemistry Letters 2022. — Vol. 13. Issue 20. — P. 4589-4597
• 13 Gurusinghe R.M., Dias N., Mebel A.M. etc. Radical-Radical Reaction Dynamics Probed Using Millimeterwave Spectroscopy: Propargyl + NH2/ND2 // Journal of Physical Chemistry Letters 2022. — P. 91-97

2021

• 1 Krasnoukhov V. S. , Azyazov V.N., Mebel A.M. etc. Combined Crossed Molecular Beams and Ab Initio Study of the Bimolecular Reaction of Ground State Atomic Silicon (Si; ³P) with Germane (GeH4; X¹A1) // CHEMPHYSCHEM 2021. — Vol. 22. Issue 14. — P. 1497-1504
• 2 Zhao L., Prendergast M., Kaiser R.I. etc. A molecular beam and computational study on the barrierless gas phase formation of (iso)quinoline in low temperature extraterrestrial environments // Physical Chemistry Chemical Physics 2021. — Vol. 23. Issue 34. — P. 18495-18505
• 3 Zhao L., Lu W., Ahmed M. etc. Gas-phase synthesis of benzene via the propargyl radical self-reaction // Science Advances 2021. — Vol. 7. Issue 21.
• 4 Porfiriev D.P., Azyazov V.N., Mebel A.M. Mechanism and kinetics of the oxidation of 1,3-butadien-1-yl (n-C4H5): a theoretical study // Physical Chemistry Chemical Physics 2021. — Vol. 23. Issue 15. — P. 9198-9210
• 5 Alarcon J.F., Mebel A.M. Direct H abstraction by molecular oxygen from unsaturated C3–C5 hydrocarbons: A theoretical study // International Journal of Chemical Kinetics 2021. —
• 6 He C., Nikolaev A. , Zhao L. etc. Gas-Phase Formation of C5H6Isomers via the Crossed Molecular Beam Reaction of the Methylidyne Radical (CH; X²Π) with 1,2-Butadiene (CH3CHCCH2; X¹A′) // Journal of Physical Chemistry A 2021. — Vol. 125. Issue 1. — P. 126-138
• 7 Zhao L., Doddipatla S., Kaiser R.I. etc. Gas-phase synthesis of corannulene - a molecular building block of fullerenes // Physical Chemistry Chemical Physics 2021. — Vol. 23. Issue 10. — P. 5740-5749
• 8 Doddipatla S., Galimova G. R. , Wei H. etc. Low-temperature gas-phase formation of indene in the interstellar medium // Science Advances 2021. — Vol. 7. Issue 1.
• 9 Korobeinichev O.P., Trubachev S.A., Joshi A.K. etc. Experimental and numerical studies of downward flame spread over PMMA with and without addition of tri phenyl phosphate // Proceedings of the Combustion Institute 2021. — Vol. 38. Issue 3. — P. 4867-4875
• 10 Savchenkova A.S., Chechet I.V., Matveev S.G. etc. Formation of phenanthrenyl radicals via the reaction of acenaphthyl with acetylene // Proceedings of the Combustion Institute 2021. — Vol. 38. Issue 1. — P. 1441-1448
• 11 Semenikhin A. S. , Savchenkova A.S., Chechet I.V. etc. Transformation of an Embedded Five-Membered Ring in Polycyclic Aromatic Hydrocarbons via the Hydrogen-Abstraction-Acetylene-Addition Mechanism: A Theoretical Study // Journal of Physical Chemistry A 2021. — Vol. 125. Issue 16. — P. 3341-3354
• 12 Yang Z., He C., Goettl S. etc. Directed Gas-Phase Formation of Aminosilylene (HSiNH2; X ¹ A′): The Simplest Silicon Analogue of an Aminocarbene, under Single-Collision Conditions // Journal of the American Chemical Society 2021. — Vol. 143. Issue 35. — P. 14227-14234
• 13 Frenklach M., Semenikhin A. S. , Mebel A.M. On the Mechanism of Soot Nucleation. III. The Fate and Facility of the E-Bridge // Journal of Physical Chemistry A 2021. — Vol. 125. Issue 31. — P. 6789-6795
• 14 Yang Z., Doddipatla S., Kayzer R. etc. Directed Gas Phase Formation of the Elusive Silylgermylidyne Radical (H3SiGe, X²A′′) // CHEMPHYSCHEM 2021. — Vol. 22. Issue 2. — P. 184-191
• 15 Mishra P., Fritz S.M., Herbers S. etc. Gas-phase pyrolysis oftrans3-pentenenitrile: competition between direct and isomerization-mediated dissociation // Physical Chemistry Chemical Physics 2021. — Vol. 23. Issue 11. — P. 6462-6471
• 16 Yang Z., Doddipatla S., Kaiser R.I. etc. On the Synthesis of the Astronomically Elusive 1-Ethynyl-3-Silacyclopropenylidene (c-SiC4H2) Molecule in Circumstellar Envelopes of Carbon-rich Asymptotic Giant Branch Stars and Its Potential Role in the Formation of the Silicon Tetracarbide Chain (SiC4) // Astrophysical Journal Letters 2021. — Vol. 908. Issue 2.
• 17 Monluc L., Nikolaev A. , Medvedkov Ya. A. etc. The Reaction of o-Benzyne with Vinylacetylene: An Unexplored Way to Produce Naphthalene // CHEMPHYSCHEM 2021. —
• 18 He C., Doddipatla S., Yang Z. etc. Gas-phase synthesis of silaformaldehyde (h2sio) and hydroxysilylene (hsioh) in outflows of oxygen-rich asymptotic giant branch stars // Astrophysical Journal Letters 2021. — Vol. 921. Issue 1.
• 19 Pershin A.A., Torbin A.P., Mikheyev P.A. etc. Ozone destruction due to the recombination of oxygen atoms // The Journal of chemical physics 2021. — Vol. 155. Issue 16.
• 20 Morozov A.N., Medvedkov Ya. A. , Azyazov V.N. etc. Theoretical Study of the Phenoxy Radical Recombination with the O(³P) Atom, Phenyl plus Molecular Oxygen Revisited // Journal of Physical Chemistry A 2021. — Vol. 125. Issue 18. — P. 3965-3977
• 21 Gildina A. R. , Zavershinskiy I. P. , Mebel A.M. etc. Theoretical Study of the Mechanism and Kinetics of the Oxidation of Cyclopenta[ a]Naphthalenyl Radical C13H9with Molecular Oxygen // Journal of Physical Chemistry A 2021. — Vol. 125. Issue 31. — P. 6796-6804
• 22 Nikolaev A. , Azyazov V.N., Kaiser R.I. etc. Theoretical Study of the Reaction of the Methylidyne Radical (CH; X²Π) with 1-Butyne (CH3CH2CCH; X¹A′) // Journal of Physical Chemistry A 2021. — Vol. 125. Issue 43. — P. 9536-9547

2020

• 1 Zhao L., Kaiser R.I., Xu B. etc. A Unified Mechanism on the Formation of Acenes, Helicenes, and Phenacenes in the Gas Phase // Angewandte Chemie - International Edition 2020. — Vol. 59. Issue 10. — P. 4051-4058
• 2 Mikheyev P.A., Demyanov A.V., Kochetov I.V. etc. Ozone and oxygen atoms production in a dielectric barrier discharge in pure oxygen and O2/CH4 mixtures. Modeling and experiment // Plasma Sources Science and Technology 2020. — Vol. 29. Issue 1.
• 3 Morozov A.N., Mebel A.M. Theoretical study of the reaction mechanism and kinetics of the phenyl + propargyl association // Physical Chemistry Chemical Physics 2020. — Vol. 22. Issue 13. — P. 6868-6880
• 4 Zhao L., Kaiser R.I., Lu W. etc. A Free-Radical Prompted Barrierless Gas-Phase Synthesis of Pentacene // Angewandte Chemie - International Edition 2020. — Vol. 59. Issue 28. — P. 11334-11338
• 5 He C., Zhao L., Doddipatla S. etc. Gas-Phase Synthesis of 3-Vinylcyclopropene via the Crossed Beam Reaction of the Methylidyne Radical (CH; X²Π) with 1,3-Butadiene (CH2CHCHCH2; X¹Ag) // CHEMPHYSCHEM 2020. — Vol. 21. Issue 12. — P. 1295-1309
• 6 Krasnoukhov V. S. , Zagidullin M.V., Zavershinskiy I. P. etc. Formation of Phenanthrene via Recombination of Indenyl and Cyclopentadienyl Radicals: A Theoretical Study // Journal of Physical Chemistry A 2020. — Vol. 124. Issue 48. — P. 9933-9941
• 7 Savchenkova A.S., Semenikhin A. S. , Chechet I.V. etc. Revisiting diacetyl and acetic acid flames: The role of the ketene + OH reaction // Combustion and Flame 2020. — Vol. 218. — P. 28-41
• 8 Howlader A.H., Diaz K., Mebel A.M. etc. Iodoindenes: Synthesis and application to cross-coupling // Tetrahedron Letters 2020. — Vol. 61. Issue 43.
• 9 Porfiriev D.P., Azyazov V.N., Mebel A.M. Conversion of acenaphthalene to phenalene via methylation: A theoretical study // Combustion and Flame 2020. — Vol. 213. — P. 302-313
• 10 Yang Z., Doddipatla S., He C. etc. Directed Gas Phase Formation of Silene (H2SiCH2) // Chemistry - A European Journal 2020. — Vol. 26. Issue 60. — P. 13584-13589
• 11 Govor E.V., Adedoyin O.W., Morozov A.N. etc. Sulfonamide ligands for extraction of Ln(III) and An(III) from alkaline aqueous media // GLOBAL 2019 - International Nuclear Fuel Cycle Conference and TOP FUEL 2019 - Light Water Reactor Fuel Performance Conference. — 2020. — P. 117-119
• 12 Oleinikov A.D., Mebel A.M., Azyazov V.N. Kinetics of Reactions of 1- and 2‑Naphthyl with Propyne and Allene // Bulletin of the Lebedev Physics Institute 2020. — Vol. 47. Issue 3. — P. 97-100
• 13 Doddipatla S., Yang Z., Thomas A.M. etc. Gas Phase Synthesis of the Elusive Trisilacyclopropyl Radical (Si3H5) via Unimolecular Decomposition of Chemically Activated Doublet Trisilapropyl Radicals (Si3H7) // Journal of Physical Chemistry Letters 2020. — Vol. 11. Issue 18. — P. 7874-7881
• 14 He C., Galimova G. R. , Luo Y. etc. A chemical dynamics study on the gas-phase formation of triplet and singlet C5H2 carbenes // Proceedings of the National Academy of Sciences of the United States of America 2020. — Vol. 117. Issue 48. — P. 30142-30150
• 15 Doddipatla S., He C., Kaiser R.I. etc. A chemical dynamics study on the gas phase formation of thioformaldehyde (H2CS) and its thiohydroxycarbene isomer (HCSH) // Proceedings of the National Academy of Sciences of the United States of America 2020. — Vol. 117. Issue 37. — P. 22712-22719
• 16 Zhao L., Kaiser R.I., Lu W. etc. Gas phase formation of cyclopentanaphthalene (benzindene) isomers: Via reactions of 5- And 6-indenyl radicals with vinylacetylene // Physical Chemistry Chemical Physics 2020. — Vol. 22. Issue 39. — P. 22493-22500
• 17 Govor E.V., Morozov A.N., Rains A.A. etc. Spectroscopic and Theoretical Insights into Surprisingly Effective Sm(III) Extraction from Alkaline Aqueous Media by o-Phenylenediamine-Derived Sulfonamides // Inorganic Chemistry 2020. — Vol. 59. Issue 10. — P. 6884-6894
• 18 Semenikhin A. S. , Savchenkova A.S., Chechet I.V. etc. On the mechanism of soot nucleation. II. E-bridge formation at the PAH bay // Physical Chemistry Chemical Physics 2020. — Vol. 22. Issue 30. — P. 17196-17204
• 19 Zhao L., Kaiser R.I., Lu W. etc. Gas phase formation of phenalene: via 10π-aromatic, resonantly stabilized free radical intermediates // Physical Chemistry Chemical Physics 2020. — Vol. 22. Issue 27. — P. 15381-15388
• 20 Savchenkova A.S., Semenikhin A. S. , Chechet I.V. etc. Aceanthracene-anthracene dimerization with the formation of an E-bridge bond // AIP Conference Proceedings. — 2020. — Vol. 2304.
• 21 Medvedkov Ya. A. , Tolstov G. I. , Porfiriev D.P. etc. Simulation of the complete mechanism of oxidation of phenyl radical under combustion conditions // AIP Conference Proceedings. — 2020. — Vol. 2304.
• 22 Yang Z., He C., Doddipatla S. etc. Gas Phase Formation of Methylgermylene (HGeCH3) // CHEMPHYSCHEM 2020. — Vol. 21. Issue 17. — P. 1898-1904
• 23 Nikolaev A. , Azyazov V.N., Mebel A.M. Energies and molecular parameters involved in the reaction of CH + 1, 3-butadiene // AIP Conference Proceedings. — 2020. — Vol. 2304.
• 24 Gildina A. R. , Mebel A.M., Azyazov V.N. The oxidation of cyclopenta[b]naphthalene C13H9radical at the combustion conditions // AIP Conference Proceedings. — 2020. — Vol. 2304.
• 25 Pershin A.A., Mikheyev P.A., Heaven M.C. etc. Calculation of Potential Energy Curves for Ar*–He Collision Complex // Bulletin of the Lebedev Physics Institute 2020. — Vol. 47. Issue 10. — P. 300-302
• 26 Savchenkova A.S., Semenikhin A. S. , Chechet I.V. etc. Rate constants for the formation of the vinylidene bridge bond between naphthalene and acenaphthalene: A theoretical study // AIP Conference Proceedings. — 2020. — Vol. 2304.
• 27 Krasnoukhov V. S. , Porfiriev D.P., Zagidullin M.V. etc. The study of indenyl + cyclopentadienyl reaction // AIP Conference Proceedings. — 2020. — Vol. 2304.
• 28 Frenklach M., Mebel A.M. On the mechanism of soot nucleation // Physical Chemistry Chemical Physics 2020. — Vol. 22. Issue 9. — P. 5314-5331
• 29 He C., Thomas A.M., Galimova G. R. etc. Gas-Phase Formation of Fulvenallene (C7H6) via the Jahn-Teller Distorted Tropyl (C7H7) Radical Intermediate under Single-Collision Conditions // Journal of the American Chemical Society 2020. — Vol. 142. Issue 6. — P. 3205-3213
• 30 Tuli L.B., Mebel A.M. Formation of phenanthrene via H-assisted isomerization of 2-ethynylbiphenyl produced in the reaction of phenyl with phenylacetylene // International Journal of Chemical Kinetics 2020. — Vol. 52. Issue 12. — P. 875-883
• 31 Singh S.K., La Jeunesse J., Vuppuluri V. etc. The Elusive Ketene (H2CCO) Channel in the Infrared Multiphoton Dissociation of Solid 1,3,5-Trinitro-1,3,5-Triazinane (RDX) // CHEMPHYSCHEM 2020. — Vol. 21. Issue 9. — P. 837-842
• 32 Singh S.K., Tsai T.-Y., Sun B.-J. etc. Gas Phase Identification of the Elusive N-Hydroxyoxaziridine (c-H2CON(OH)): A Chiral Molecule // Journal of Physical Chemistry Letters 2020. — Vol. 11. Issue 13. — P. 5383-5389

2019

• 1 Zhao L., Kaiser R.I., Xu B. etc. Gas phase synthesis of [4]-helicene // Nature Communications 2019. — Vol. 10. Issue 1.
• 2 Thomas A.M., Doddipatla S., Kaiser R.I. etc. A Barrierless Pathway Accessing the C9H9 and C9H8 Potential Energy Surfaces via the Elementary Reaction of Benzene with 1-Propynyl // Scientific Reports 2019. — Vol. 9. Issue 1.
• 3 He C., Thomas A.M., Galimova G. R. etc. Gas Phase Formation of the Interstellar Molecule Methyltriacetylene // CHEMPHYSCHEM 2019. — Vol. 20. Issue 15. — P. 1912-1917
• 4 Thomas A.M., Dangi B.B., Yang T. etc. Directed Gas-Phase Formation of the Germaniumsilylene Butterfly Molecule (Ge(μ-H2)Si) // Journal of Physical Chemistry Letters 2019. — Vol. 10. Issue 6. — P. 1264-1271
• 5 Gildina A. R. , Porfiriev D.P., Azyazov V.N. etc. The mechanism and rate constants for oxidation of indenyl radical C9H7 with molecular oxygen O2: A theoretical study // Physical Chemistry Chemical Physics 2019. — Vol. 21. Issue 17. — P. 8915-8924
• 6 Zhao L., Prendergast M., Kaiser R.I. etc. How to add a five-membered ring to polycyclic aromatic hydrocarbons (PAHs)-molecular mass growth of the 2-naphthyl radical (C10H7) to benzindenes (C13H10) as a case study // Physical Chemistry Chemical Physics 2019. — Vol. 21. Issue 30. — P. 16737-16750
• 7 Savchenkova A.S., Semenikhin A. S. , Chechet I.V. etc. Mechanism and rate constants of the CH2 + CH2CO reactions in triplet and singlet states: A theoretical study // Journal of Computational Chemistry 2019. — Vol. 40. Issue 2. — P. 387-399
• 8 Khvatov N. A. , Zagidullin M.V., Tolstov G. I. etc. Product channels of the reactions of O2(b¹Σg⁺) // Chemical Physics 2019. — Vol. 521. — P. 85-91
• 9 He C., Thomas A.M., Galimova G. R. etc. Gas-Phase Formation of 1-Methylcyclopropene and 3-Methylcyclopropene via the Reaction of the Methylidyne Radical (CH; X²II) with Propylene (CH3CHCH2; X¹A′) // Journal of Physical Chemistry A 2019. — Vol. 123. Issue 49. — P. 10543-10555
• 10 Galimova G. R. , Azyazov V.N., Porfiriev D.P. etc. Reaction mechanism, rate constants, and product yields for the oxidation of embedded five-member ring radicals with atomic oxygen // Chemical Physics 2019. — Vol. 519. — P. 101-109
• 11 Wang L., Deriu C., Wu W. etc. Surface-enhanced Raman spectroscopy, Raman, and density functional theoretical analyses of fentanyl and six analogs // Journal of Raman Spectroscopy 2019. — Vol. 50. Issue 10. — P. 1405-1415
• 12 Zhao L., Xu B., Ablikim U. etc. Gas-Phase Synthesis of Triphenylene (C 18 H 12 ) // CHEMPHYSCHEM 2019. — Vol. 20. Issue 6. — P. 791-797
• 13 Pershin A.A., Gildina A. R. , Mebel A.M. etc. Computational investigation of energy transfer and line broadening for A r∗ + He collisions // The Journal of chemical physics 2019. — Vol. 151. Issue 22.
• 14 Zhao L., Kaiser R.I., Lu W. etc. Molecular mass growth through ring expansion in polycyclic aromatic hydrocarbons via radical–radical reactions // Nature Communications 2019. — Vol. 10. Issue 1.
• 15 Deriu C., Conticello I., Mebel A.M. etc. Micro Solid Phase Extraction Surface-Enhanced Raman Spectroscopy (μ-SPE/SERS) Screening Test for the Detection of the Synthetic Cannabinoid JWH-018 in Oral Fluid // Analytical Chemistry 2019. — Vol. 91. Issue 7. — P. 4780-4789
• 16 Gildina A. R. , Porfiriev D.P., Azyazov V.N. etc. Scission of the Five-Membered Ring in 1- H-Inden-1-one C9H6O and Indenyl C9H7 in the Reactions with H and O Atoms // Journal of Physical Chemistry A 2019. — Vol. 123. Issue 27. — P. 5741-5752
• 17 He C., Zhao L., Thomas A.M. etc. Elucidating the Chemical Dynamics of the Elementary Reactions of the 1-Propynyl Radical (CH3CC; X²A1) with Methylacetylene (H3CCCH; X¹A1) and Allene (H2CCCH2; X¹A1) // Journal of Physical Chemistry A 2019. — Vol. 123. Issue 26. — P. 5446-5462
• 18 He C., Zhao L., Thomas A.M. etc. A combined experimental and computational study on the reaction dynamics of the 1-propynyl radical (CH3CC; X²A1) with ethylene (H2CCH2; X¹A1g) and the formation of 1-penten-3-yne (CH2CHCCCH3; X¹A′) // Physical Chemistry Chemical Physics 2019. — Vol. 21. Issue 40. — P. 22308-22319
• 19 Frenklach M., Singh R.I., Mebel A.M. On the low-temperature limit of HACA // Proceedings of the Combustion Institute 2019. — Vol. 37. Issue 1. — P. 969-976
• 20 Thomas A.M., Zhao L., He C. etc. Directed Gas-Phase Synthesis of Triafulvene under Single-Collision Conditions // Angewandte Chemie - International Edition 2019. — Vol. 58. Issue 43. — P. 15488-15495
• 21 Zhao L., Prendergast M.B., Kaiser R.I. etc. Reactivity of the Indenyl Radical (C9H7) with Acetylene (C2H2) and Vinylacetylene (C4H4) // CHEMPHYSCHEM 2019. — Vol. 20. Issue 11. — P. 1437-1447
• 22 Kandel S., Sathish V., Mathivathanan L. etc. Aggregation induced emission enhancement (AIEE) of tripodal pyrazole derivatives for sensing of nitroaromatics and vapor phase detection of picric acid // New Journal of Chemistry 2019. — Vol. 43. Issue 19. — P. 7251-7258
• 23 Morozov A.N., Mebel A.M. Theoretical Study of the Reaction Mechanism and Kinetics of the Phenyl + Allyl and Related Benzyl + Vinyl Associations // Journal of Physical Chemistry A 2019. — Vol. 123. Issue 9. — P. 1720-1729
• 24 Thomas A.M., He C., Zhao L. etc. Combined Experimental and Computational Study on the Reaction Dynamics of the 1-Propynyl (CH3CC)-1,3-Butadiene (CH2CHCHCH2) System and the Formation of Toluene under Single Collision Conditions // Journal of Physical Chemistry A 2019. — Vol. 123. Issue 19. — P. 4104-4118
• 25 Zagidullin M.V., Khvatov N.A., Medvedkov Ya. A. etc. O2(b¹Σg⁺) removal by I2 and NO at temperatures of 297–750 K // Chemical Physics Letters 2019. — Vol. 735.

2018

• 1 Oleinikov A.D., Azyazov V.N., Mebel A.M. Oxidation of cyclopentadienyl radical with molecular oxygen: A theoretical study // Combustion and Flame 2018. — Vol. 191. — P. 309-319
• 2 Zagidullin M.V., Kaiser R.I., Porfiriev D.P. etc. Functional Relationships between Kinetic, Flow, and Geometrical Parameters in a High-Temperature Chemical Microreactor // Journal of Physical Chemistry A 2018. — Vol. 122. Issue 45. — P. 8819-8827
• 3 Zagidullin M.V., Khvatov N.A., Tolstov G.I. etc. O2(b ¹∑g⁺) Removal by H2, CO, N2O, CH4, and C2H4 in the 300-800 K Temperature Range // Journal of Physical Chemistry A 2018. — Vol. 122. Issue 24. — P. 5283-5288
• 4 Zhao L., Kaiser R.I., Xu B. etc. Low-temperature formation of polycyclic aromatic hydrocarbons in Titan’s atmosphere // Nature Astronomy 2018. — Vol. 2. Issue 12. — P. 973-979
• 5 Zhao L., Kaiser R.I., Xu B. etc. VUV Photoionization Study of the Formation of the Simplest Polycyclic Aromatic Hydrocarbon: Naphthalene (C10H8) // Journal of Physical Chemistry Letters 2018. — Vol. 9. Issue 10. — P. 2620-2626
• 6 Torbin A.P., Pershin A.A., Mebel A.M. etc. Collisional relaxation of O2(a¹Δ υ = 1, 2, 3) by CO2 // Chemical Physics Letters 2018. — Vol. 691. — P. 456-461
• 7 Galimova G. R. , Azyazov V.N., Mebel A.M. Reaction mechanism, rate constants, and product yields for the oxidation of Cyclopentadienyl and embedded five-member ring radicals with hydroxyl // Combustion and Flame 2018. — Vol. 187. — P. 147-164
• 8 Morozov A.N., Mebel A.M., Kaiser R.I. A Theoretical Study of Pyrolysis of exo-Tetrahydrodicyclopentadiene and Its Primary and Secondary Unimolecular Decomposition Products // Journal of Physical Chemistry A 2018. — Vol. 122. Issue 22. — P. 4920-4934
• 9 Belisario-Lara D., Mebel A.M., Kaiser R.I. Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates III: Butylbenzene Isomers (n -, s -, and t -C14H10) // Journal of Physical Chemistry A 2018. — Vol. 122. Issue 16. — P. 3980-4001
• 10 Zagidullin M.V., Kaiser R.I., Ahmed M. etc. Kinetics of C10H7Br Pyrolysis // Bulletin of the Lebedev Physics Institute 2018. — Vol. 45. Issue 10. — P. 314-317
• 11 Morozov A.N., Govor E.V., Anagnostopoulos V.A. etc. 1,3,5-Tris-(4-(iso-propyl)-phenylsulfamoylmethyl)benzene as a potential Am(III) extractant: experimental and theoretical study of Sm(III) complexation and extraction and theoretical correlation with Am(III) // Molecular Physics 2018. — Vol. 116. Issue 19-20. — P. 2719-2727
• 12 Gildina A. R. , Mebel A.M., Azyazov V.N. Potential Energy Surface for Oxidation of Indenyl C9H7 // Bulletin of the Lebedev Physics Institute 2018. — Vol. 45. Issue 10. — P. 291-294
• 13 Zhao L., Kaiser R.I., Xu B. etc. Pyrene synthesis in circumstellar envelopes and its role in the formation of 2D nanostructures // Nature Astronomy 2018. — Vol. 2. Issue 5. — P. 413-419
• 14 Bashkirov E.K., Azyazov V.N., Mebel A.M. Theoretical Calculation of Products Distribution in the Reaction of Atomic Carbon with Pyridine // Bulletin of the Lebedev Physics Institute 2018. — Vol. 45. Issue 10. — P. 299-302
• 15 Tolstov G. I. , Zagidullin M.V., Khvatov N. A. etc. Measurements of rate constants of O2(b) quenching by CH4, NO, N2O at temperatures 300-800 K // MATEC Web of Conferences. — 2018. — Vol. 209.
• 16 Pershin A.A., Torbin A.P., Zagidullin M.V. etc. Rate constants for collision-induced emission of O2(a¹Δg) with He, Ne, Ar, Kr, N2, CO2 and SF6 as collisional partners // Physical Chemistry Chemical Physics 2018. — Vol. 20. Issue 47. — P. 29677-29683
• 17 Semenikhin A. S. , Shubina E.G., Savchenkova A.S. etc. Mechanism and Rate Constants of the CH3+ CH2CO Reaction: A Theoretical Study // International Journal of Chemical Kinetics 2018. — Vol. 50. Issue 4. — P. 273-284
• 18 Yang T., Thomas A.M., Dangi B.B. etc. Directed gas phase formation of silicon dioxide and implications for the formation of interstellar silicates // Nature Communications 2018. — Vol. 9. Issue 1.
• 19 Artem O., Mebel A., Azyazov V. The reaction of 2-naphthyl with 1,3-butadiene: A theoretical study // MATEC Web of Conferences. — 2018. — Vol. 209.
• 20 Gildina A. R. , Pershin A.A., Mebel A.M. etc. Potential energy curves for excited states of Ar in He and transition rate constants in ArHe calculated by Ab initio methods // Proceedings - International Conference Laser Optics 2018, ICLO 2018. — 2018. — P. 98
• 21 Cui D., Mebel A.M., Arroyo-Mora L.E. etc. Fundamental study of the ultrasonic induced degradation of the popular antihistamine, diphenhydramine (DPH) // Water Research 2018. — Vol. 144. — P. 265-273
• 22 Tolstov G. I. , Zagidullin M.V., Khvatov N. A. etc. Temperature dependent rate constants for O2(b) deactivation by O2(X) // Proceedings - International Conference Laser Optics 2018, ICLO 2018. — 2018. — P. 85
• 23 Galimova G. R. , Azyazov V., Mebel A. Quantum chemical study of the mechanism of oxidation of C15H9 by atomic oxygen // MATEC Web of Conferences. — 2018. — Vol. 209.
• 24 Frenklach M., Liu Z., Singh R.I. etc. Detailed, sterically-resolved modeling of soot oxidation: Role of O atoms, interplay with particle nanostructure, and emergence of inner particle burning // Combustion and Flame 2018. — Vol. 188. — P. 284-306
• 25 Torbin A.P., Pershin A.A., Heaven M.C. etc. O2(a ¹Δ) vibrational kinetics in oxygen-iodine laser // Progress in Biomedical Optics and Imaging - Proceedings of SPIE. — 2018. — Vol. 10717.
• 26 Thomas A.M., Zhao L., He C. etc. A Combined Experimental and Computational Study on the Reaction Dynamics of the 1-Propynyl (CH3CC)-Acetylene (HCCH) System and the Formation of Methyldiacetylene (CH3CCCCH) // Journal of Physical Chemistry A 2018. — Vol. 122. Issue 33. — P. 6663-6672
• 27 Lucas M., Thomas A.M., Yang T. etc. Bimolecular Reaction Dynamics in the Phenyl-Silane System: Exploring the Prototype of a Radical Substitution Mechanism // Journal of Physical Chemistry Letters 2018. — Vol. 9. Issue 17. — P. 5135-5142
• 28 Yang M., Sun Y., Zhang X. etc. Raman spectra of thiolated arsenicals with biological importance // Talanta 2018. — Vol. 179. — P. 520-530
• 29 Torbin A., Pershin A., Zagidullin M. etc. Ozone recovery in the presence of CO and N2O // MATEC Web of Conferences. — 2018. — Vol. 209.
• 30 Gildina A. R. , Mebel A.M., Medvedkov Ya. A. etc. Quantum-Chemical Calculations of the Primary Reactions of Thermal Decomposition of Cyclopentadienone // Combustion, Explosion, and Shock Waves 2018. — Vol. 54. Issue 1. — P. 9-15
• 31 Lucas M., Thomas A.M., Kaiser R.I. etc. Combined Experimental and Computational Investigation of the Elementary Reaction of Ground State Atomic Carbon (C; ³Pj) with Pyridine (C5H5N; X¹A1) via Ring Expansion and Ring Degradation Pathways // Journal of Physical Chemistry A 2018. — Vol. 122. Issue 12. — P. 3128-3139
• 32 Thomas A.M., Lucas M., Zhao L. etc. A combined crossed molecular beams and computational study on the formation of distinct resonantly stabilized C5H3 radicals: Via chemically activated C5H4 and C6H6 intermediates // Physical Chemistry Chemical Physics 2018. — Vol. 20. Issue 16. — P. 10906-10925
• 33 Torbin A.P., Pershin A.A., Mebel A.M. etc. Vibrationally Excited Ozone Relaxation by CO // Bulletin of the Lebedev Physics Institute 2018. — Vol. 45. Issue 3. — P. 67-70

2017

• 1 Azyazov V.N., Torbin A.P., Mebel A.M. etc. Product channels of the reactions of Rb(6²P) with H2, CH4 and C2H6 // Journal of Quantitative Spectroscopy and Radiative Transfer 2017. — Vol. 196. — P. 46-52
• 2 Lockhart J., Lynch P.T., Annesley C.J. etc. A shock tube laser schlieren study of phenyl chloride pyrolysis // 10th U.S. National Combustion Meeting. — 2017. — Vol. 2017-April.
• 3 Mebel A.M., Georgievskii Y., Jasper A.W. etc. Temperature- and pressure-dependent rate coefficients for the HACA pathways from benzene to naphthalene // Proceedings of the Combustion Institute 2017. — Vol. 36. Issue 1. — P. 919-926
• 4 Gildina A. R. , Oleinikov A.D., Azyazov V.N. etc. Reaction mechanism, rate constants, and product yields for unimolecular and H-assisted decomposition of 2,4-cyclopentadienone and oxidation of cyclopentadienyl with atomic oxygen // Combustion and Flame 2017. — Vol. 183. — P. 181-193
• 5 Thomas A.M., Lucas M., Yang T. etc. A Free-Radical Pathway to Hydrogenated Phenanthrene in Molecular Clouds—Low Temperature Growth of Polycyclic Aromatic Hydrocarbons // CHEMPHYSCHEM 2017. — Vol. 18. Issue 15. — P. 1971-1976
• 6 Zagidullin M.V., Khvatov N.A., Medvedkov Ya. A. etc. O2 (b1Σg⁺) quenching by O2, CO2, H2O, and N2 at temperatures of 300-800K // Journal of Physical Chemistry A 2017. — Vol. 121. Issue 39. — P. 4343-4348
• 7 Mebel A.M., Landera A., Kaiser R.I. Formation Mechanisms of Naphthalene and Indene: From the Interstellar Medium to Combustion Flames // Journal of Physical Chemistry A 2017. — Vol. 121. Issue 5. — P. 901-926
• 8 Cui D., Mebel A.M., Arroyo-Mora L.E. etc. Kinetic, product, and computational studies of the ultrasonic induced degradation of 4-methylcyclohexanemethanol (MCHM) // Water Research 2017. — Vol. 126. — P. 164-171
• 9 Semenikhin A. S. , Savchenkova A.S., Chechet I.V. etc. Rate constants for H abstraction from benzo(a)pyrene and chrysene: A theoretical study // Physical Chemistry Chemical Physics 2017. — Vol. 19. Issue 37. — P. 25401-25413
• 10 Ribeiro J.M., Mebel A.M. Reaction mechanism and product branching ratios of the CH + C3H4 reactions: A theoretical study // Physical Chemistry Chemical Physics 2017. — Vol. 19. Issue 22. — P. 14543-14554
• 11 Jonah T.M., Mathivathanan L., Morozov A.N. etc. Remarkably selective NH4⁺ binding and fluorescence sensing by tripodal tris(pyrazolyl) receptors derived from 1,3,5-triethylbenzene: Structural and theoretical insights on the role of ion pairing // New Journal of Chemistry 2017. — Vol. 41. Issue 24. — P. 14835-14838
• 12 Yang T., Kaiser R.I., Troy T.P. etc. HACA's Heritage: A Free-Radical Pathway to Phenanthrene in Circumstellar Envelopes of Asymptotic Giant Branch Stars // Angewandte Chemie - International Edition 2017. — Vol. 56. Issue 16. — P. 4515-4519
• 13 Krasnoukhov V. S. , Porfiriev D.P., Zavershinskiy I. P. etc. Kinetics of the CH3 + C5H5 Reaction: A Theoretical Study // Journal of Physical Chemistry A 2017. — Vol. 121. Issue 48. — P. 9191-9200
• 14 Zhao L., Yang T., Kaiser R.I. etc. Combined Experimental and Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates. II: n-Dodecane (n-C12H26) // Journal of Physical Chemistry A 2017. — Vol. 121. Issue 6. — P. 1281-1297
• 15 Lucas M., Thomas A.M., Zhao L. etc. Gas-Phase Synthesis of the Elusive Cyclooctatetraenyl Radical (C8H7) via Triplet Aromatic Cyclooctatetraene (C8H8) and Non-Aromatic Cyclooctatriene (C8H8) Intermediates // Angewandte Chemie - International Edition 2017. — Vol. 56. Issue 44. — P. 13655-13660
• 16 Zhao L., Yang T., Kaiser R.I. etc. Combined Experimental and Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates. I. n-Decane (n-C10H22) // Journal of Physical Chemistry A 2017. — Vol. 121. Issue 6. — P. 1261-1280
• 17 Zhao L., Yang T., Kaiser R.I. etc. A vacuum ultraviolet photoionization study on high-temperature decomposition of JP-10 (: Exo -tetrahydrodicyclopentadiene) // Physical Chemistry Chemical Physics 2017. — Vol. 19. Issue 24. — P. 15780-15807

2016

• 1 Mebel A.M., Georgievskii Y., Jasper A.W. etc. Pressure-dependent rate constants for PAH growth: Formation of indene and its conversion to naphthalene // Faraday Discussions 2016. — Vol. 195. — P. 637-670
• 2 Azyazov V.N., Torbin A.P., Mebel A.M. etc. Deactivation and reaction of excited states of Rb in collisions with H2, CH4 and C2H6 // Proceedings of SPIE - The International Society for Optical Engineering. — 2016. — Vol. 9729.
• 3 Yang T., Troy T.P., Xu B. etc. Hydrogen-Abstraction/Acetylene-Addition Exposed // Angewandte Chemie - International Edition 2016. — Vol. 55. Issue 48. — P. 14983-14987
• 4 Azyazov V.N., Bresler S.M., Torbin A.P. etc. Removal of Rb(6²P) by H2, CH4, and C2H6 // Optics Letters 2016. — Vol. 41. Issue 4. — P. 669-672
• 5 Förstel M., Tsegaw Y.A., Maksyutenko P. etc. On the Formation of N3H3 Isomers in Irradiated Ammonia Bearing Ices: Triazene (H2NNNH) or Triimide (HNHNNH) // CHEMPHYSCHEM 2016. — P. 2726-2735
• 6 Thomas A.M., Yang T., Dangi B.B. etc. Oxidation of the para-Tolyl Radical by Molecular Oxygen under Single-Collison Conditions: Formation of the para-Toloxy Radical // Journal of Physical Chemistry Letters 2016. — Vol. 7. Issue 24. — P. 5121-5127
• 7 Benigni P., Bravo C., Quirke M.J.E. etc. Analysis of geologically relevant metal porphyrins using trapped ion mobility spectrometry−mass spectrometry and theoretical calculations // Energy and Fuels 2016. — Vol. 30. Issue 12. — P. 10341-10347
• 8 Ribeiro J.M., Mebel A.M. Reaction Mechanism and Product Branching Ratios of the CH + C3H6 Reaction: A Theoretical Study // Journal of Physical Chemistry A 2016. — Vol. 120. Issue 11. — P. 1800-1812
• 9 Tolstov G.I., Naumkin S.N., Torbin A.P. etc. Products of reaction Rb with C2H6 or CH4 // Proceedings - 2016 International Conference Laser Optics, LO 2016. — 2016. — P. R223
• 10 Förstel M., Maksyutenko P., Mebel A.M. etc. PENTACARBON DIOXIDE (C5O2) FORMATION and ITS ROLE AS A TRACER of SOLAR SYSTEM EVOLUTION // Astrophysical Journal Letters 2016. — Vol. 818. Issue 2.
• 11 Pershin A.A., Mebel A.M., Zagidullin M.V. etc. Ab initio calculations of transition dipole moments of (O2)2 complex // Proceedings - 2016 International Conference Laser Optics, LO 2016. — 2016. — P. R27

2015

• 1 Muzangwa L.G., Yang T., Parker D.S.N. etc. A crossed molecular beam and ab initio study on the formation of 5- and 6-methyl-1,4-dihydronaphthalene (C11H12) via the reaction of meta-tolyl (C7H7) with 1,3-butadiene (C4H6) // Physical Chemistry Chemical Physics 2015. — Vol. 17. Issue 12. — P. 7699-7706
• 2 Yang T., Parker D.S.N., Dangi B.B. etc. Formation of 5- and 6-methyl-1H-indene (C10H10) via the reactions of the para-tolyl radical (C6H4CH3) with allene (H2CCCH2) and methylacetylene (HCCCH3) under single collision conditions // Physical Chemistry Chemical Physics 2015. — Vol. 17. Issue 16. — P. 10510-10519
• 3 Parker D.S.N., Kaiser R.I., Kostko O. etc. Gas phase synthesis of (ISO)quinoline and its role in the formation of nucleobases in the interstellar medium // Astrophysical Journal 2015. — Vol. 803. Issue 2.
• 4 Parker D.S.N., Kaiser R.I., Troy T.P. etc. Toward the Oxidation of the Phenyl Radical and Prevention of PAH Formation in Combustion Systems // Journal of Physical Chemistry A 2015. — Vol. 119. Issue 28. — P. 7145-7154
• 5 Yang T., Muzangwa L., Parker D.S.N. etc. Formation of 2- and 1-methyl-1,4-dihydronaphthalene isomers via the crossed beam reactions of phenyl radicals (C6H5) with isoprene (CH2C(CH3)CHCH2) and 1,3-pentadiene (CH2CHCHCHCH3) // Physical Chemistry Chemical Physics 2015. — Vol. 17. Issue 1. — P. 530-540
• 6 Zagidullin M.V., Pershin A.A., Azyazov V.N. etc. Luminescence of the (O2(a ¹Δg))2 collisional complex in the temperature range of 90-315 K: Experiment and theory // The Journal of chemical physics 2015. — Vol. 143. Issue 24.
• 7 Ribeiro J.M., Mebel A.M. Reaction mechanism and rate constants of the CH+CH4 reaction: A theoretical study // Molecular Physics 2015. — Vol. 113. Issue 13-14. — P. 1865-1872
• 8 Kaiser R.I., Parker D.S.N., Mebel A.M. Reaction dynamics in astrochemistry: Low-temperature pathways to polycyclic aromatic hydrocarbons in the interstellar medium // Annual Review of Physical Chemistry 2015. — Vol. 66. — P. 43-67
• 9 Kislov V.V., Singh R.I., Edwards D.E. etc. Rate coefficients and product branching ratios for the oxidation of phenyl and naphthyl radicals: A theoretical RRKM-ME study // Proceedings of the Combustion Institute 2015. — Vol. 35. Issue 2. — P. 1861-1869
• 10 Mebel A.M., Kaiser R.I. Formation of resonantly stabilised free radicals via the reactions of atomic carbon, dicarbon, and tricarbon with unsaturated hydrocarbons: theory and crossed molecular beams experiments // International Reviews in Physical Chemistry 2015. — Vol. 34. Issue 4. — P. 461-514
• 11 Singh R.I., Mebel A.M., Frenklach M. Oxidation of graphene-edge six- and five-member rings by molecular oxygen // Journal of Physical Chemistry A 2015. — Vol. 119. Issue 28. — P. 7528-7547

2014

• 1 Yang T., Parker D.S.N., Dangi B.B. etc. Crossed beam reactions of the phenyl (C6H5; X ²A1) and phenyl- d 5 radical (C 6D5; X²A1) with 1,2-butadiene (H2CCCHCH3; X¹A') // Journal of Physical Chemistry A 2014. — Vol. 118. Issue 25. — P. 4372-4381
• 2 Dangi B.B., Parker D.S.N., Yang T. etc. Gas-phase synthesis of the benzyl radical (C6H 5CH2) // Angewandte Chemie - International Edition 2014. — Vol. 53. Issue 18. — P. 4608-4613
• 3 Dangi B.B., Yang T., Kaiser R.I. etc. Reaction dynamics of the 4-methylphenyl radical (C6H4CH3; p-tolyl) with isoprene (C5H8) - formation of dimethyldihydronaphthalenes // Physical Chemistry Chemical Physics 2014. — Vol. 16. Issue 31. — P. 16805-16814
• 4 Parker D.S.N., Maity S., Dangi B.B. etc. Understanding the chemical dynamics of the reactions of dicarbon with 1-butyne, 2-butyne, and 1,2-butadiene-toward the formation of resonantly stabilized free radicals // Physical Chemistry Chemical Physics 2014. — Vol. 16. Issue 24. — P. 12150-12163
• 5 Yang T., Parker D.S.N., Dangi B.B. etc. Directed gas-phase formation of the ethynylsulfidoboron molecule // Journal of the American Chemical Society 2014. — Vol. 136. Issue 23. — P. 8387-8392
• 6 Parker D.S.N., Yang T., Kaiser R.I. etc. On the formation of ethynylbiphenyl (C14D5H 5; C6D5C6H4CCH) isomers in the reaction of D5-phenyl radicals (C6D5; X ²A1) with phenylacetylene (C6H 5C2H; X¹A1) under single collision conditions // Chemical Physics Letters 2014. — Vol. 595-596. — P. 230-236
• 7 Joalland B., Shi Y., Kamasah A. etc. Roaming dynamics in radical addition-elimination reactions // Nature Communications 2014. — Vol. 5.
• 8 Ribeiro J.M., Mebel A.M. Reaction mechanism and product branching ratios of the CH + C3H8 reaction: A theoretical study // Journal of Physical Chemistry A 2014. — Vol. 118. Issue 39. — P. 9080-9086
• 9 Joalland B., Shi Y., Estillore A.D. etc. Dynamics of chlorine atom reactions with hydrocarbons: Insights from imaging the radical product in crossed beams // Journal of Physical Chemistry A 2014. — Vol. 118. Issue 40. — P. 9281-9295
• 10 Kaiser R.I., Dangi B.B., Yang T. etc. Reaction dynamics of the 4-methylphenyl radical (p -tolyl) with 1,2-butadiene (1-methylallene): Are methyl groups purely spectators? // Journal of Physical Chemistry A 2014. — Vol. 118. Issue 32. — P. 6181-6190
• 11 Dangi B.B., Parker D.S.N., Kaiser R.I. etc. An experimental and theoretical investigation of the formation of C 7H7 isomers in the bimolecular reaction of dicarbon molecules with 1,3-pentadiene // Chemical Physics Letters 2014. — Vol. 607. — P. 92-99

2013

• 1 Trakhtenberg L.I., Fokeyev A.A., Mebel A.M. H/D kinetic isotope effect in HCOOH cis-trans conversion of formic acid in noble gas matrices // Chemical Physics Letters 2013. — Vol. 574. — P. 47-50
• 2 Golan A., Ahmed M., Mebel A.M. etc. A VUV photoionization study of the multichannel reaction of phenyl radicals with 1,3-butadiene under combustion relevant conditions // Physical Chemistry Chemical Physics 2013. — Vol. 15. Issue 1. — P. 341-347
• 3 Dangi B.B., Maity S., Kaiser R.I. etc. A combined crossed beam and Ab initio investigation of the gas phase reaction of dicarbon molecules (C2; X¹Σ g⁺/a³Πu) with propene (C 3H6; X¹A′): Identification of the resonantly stabilized free radicals 1- and 3-vinylpropargyl // Journal of Physical Chemistry A 2013. — Vol. 117. Issue 46. — P. 11783-11793
• 4 Jamal A., Mebel A.M. Theoretical investigation of the mechanism and product branching ratios of the reactions of cyano radical with 1- and 2-butyne and 1,2-butadiene // Journal of Physical Chemistry A 2013. — Vol. 117. Issue 4. — P. 741-755
• 5 Wang Q., Dyakov Y.A., Wu D. etc. Ionization/dissociation processes of methyl-substituted derivates of cyclopentanone in intense femtosecond laser field // Chemical Physics Letters 2013. — Vol. 586. — P. 21-28
• 6 Landera A., Mebel A.M. Low-temperature mechanisms for the formation of substituted azanaphthalenes through consecutive CN and C2H additions to styrene and N-methylenebenzenamine: A theoretical study // Journal of the American Chemical Society 2013. — Vol. 135. Issue 19. — P. 7251-7263
• 7 Parker D.S.N., Balucani N., Stranges D. etc. A crossed beam and Ab initio investigation on the formation of boronyldiacetylene (HCCCC¹¹BO; X ¹Σ⁺) via the reaction of the boron monoxide radical (¹¹BO; X ²Σ⁺) with Diacetylene (C4H2; X ¹Σg⁺) // Journal of Physical Chemistry A. — 2013. — Vol. 117. Issue 34. — P. 8189-8198
• 8 Dangi B.B., Parker D.S.N., Kaiser R.I. etc. A combined experimental and theoretical study on the gas-phase synthesis of toluene under single collision conditions // Angewandte Chemie - International Edition 2013. — Vol. 52. Issue 28. — P. 7186-7189
• 9 Parker D.S.N., Dangi B.B., Balucani N. etc. Gas-phase synthesis of phenyl oxoborane (C6H5BO) via the reaction of boron monoxide with benzene // Journal of Organic Chemistry 2013. — Vol. 78. Issue 23. — P. 11896-11900
• 10 Kislov V.V., Sadovnikov A.I., Mebel A.M. Formation mechanism of polycyclic aromatic hydrocarbons beyond the second aromatic ring // Journal of Physical Chemistry A 2013. — Vol. 117. Issue 23. — P. 4794-4816

2012

• 1 Parker D.S.N., Wilson A.V., Kaiser R.I. etc. Synthesis of the silaisocyanoacetylene molecule // Journal of the American Chemical Society 2012. — Vol. 134. Issue 33. — P. 13896-13901
• 2 Kaiser R.I., Parker D.S.N., Zhang F. etc. PAH formation under single collision conditions: Reaction of phenyl radical and 1,3-butadiene to form 1,4-dihydronaphthalene // Journal of Physical Chemistry A 2012. — Vol. 116. Issue 17. — P. 4248-4258
• 3 Kislov V.V., Mebel A.M., Aguilera-Iparraguirre J. etc. Reaction of phenyl radical with propylene as a possible source of indene and other polycyclic aromatic hydrocarbons: An Ab initio/RRKM-ME study // Journal of Physical Chemistry A 2012. — Vol. 116. Issue 16. — P. 4176-4191
• 4 Parker D.S.N., Zhang F., Kim Y.S. etc. Low temperature formation of naphthalene and its role in the synthesis of PAHs (Polycyclic Aromatic Hydrocarbons) in the interstellar medium // Proceedings of the National Academy of Sciences of the United States of America 2012. — Vol. 109. Issue 1. — P. 53-58
• 5 Landera A., Mebel A.M. Combined photodissociation and pyrolysis study of the dissociation mechanisms of ortho benzyne: A theoretical point of view // ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 2012. — Vol. 244.
• 6 Kaiser R.I., Krishtal S.P., Mebel A.M. etc. An experimental and theoretical study of the ionization energies of SiC2Hx(x = 0, 1, 2) isomers // Astrophysical Journal 2012. — Vol. 761. Issue 2.
• 7 Parker D.S.N., Zhang F., Kim Y.S. etc. On the formation of phenyldiacetylene (C 6H 5CCCCH) and D5-phenyldiacetylene (C 6D 5CCCCH) studied under single collision conditions // Physical Chemistry Chemical Physics 2012. — Vol. 14. Issue 9. — P. 2997-3003
• 8 Kaiser R.I., Parker D.S.N., Goswami M. etc. Crossed beam reaction of phenyl and D5-phenyl radicals with propene and deuterated counterparts-competing atomic hydrogen and methyl loss pathways // Physical Chemistry Chemical Physics 2012. — Vol. 14. Issue 2. — P. 720-729
• 9 Zhou C.-W., Kislov V.V., Mebel A.M. Reaction mechanism of naphthyl radicals with molecular oxygen. 1. Theoretical study of the potential energy surface // Journal of Physical Chemistry A 2012. — Vol. 116. Issue 6. — P. 1571-1585
• 10 Parker D.S.N., Wilson A.V., Kaiser R.I. etc. Gas-phase synthesis of the silaisocyanoethylene molecule (C 2H 3NSi) // Journal of Organic Chemistry 2012. — Vol. 77. Issue 19. — P. 8574-8580
• 11 Mebel A.M., Landera A. Product branching ratios in photodissociation of phenyl radical: A theoretical ab initioRice-Ramsperger-Kassel-Marcus study // The Journal of chemical physics 2012. — Vol. 136. Issue 23.
• 12 Holness H.K., Jamal A., Mebel A. etc. Separation mechanism of chiral impurities, ephedrine and pseudoephedrine, found in amphetamine-type substances using achiral modifiers in the gas phase // Analytical and Bioanalytical Chemistry 2012. — Vol. 404. Issue 8. — P. 2407-2416
• 13 Dang T.P., Sobczak A.J., Mebel A.M. etc. Investigation of reactions postulated to occur during inhibition of ribonucleotide reductases by 2′-azido-2′-deoxynucleotides // Tetrahedron 2012. — Vol. 68. Issue 27-28. — P. 5655-5667

2011

• 1 Parker D.S.N., Zhang F., Kaiser R.I. etc. Indene formation under single-collision conditions from the reaction of phenyl radicals with allene and methylacetylene-A crossed molecular beam and ab initio study // Chemistry - An Asian Journal 2011. — Vol. 6. Issue 11. — P. 3035-3047
• 2 Zhang F., Kaiser R.I., Kislov V.V. etc. A VUV photoionization study of the formation of the indene molecule and its isomers // Journal of Physical Chemistry Letters 2011. — Vol. 2. Issue 14. — P. 1731-1735
• 3 Parker D.S.N., Zhang F., Kim Y.S. etc. On the formation of resonantly stabilized C5H3 radicals - A crossed beam and ab initio study of the reaction of ground state carbon atoms with vinylacetylene // Journal of Physical Chemistry A 2011. — Vol. 115. Issue 5. — P. 593-601
• 4 Sivaraman B., Mebel A.M., Mason N.J. etc. On the electron-induced isotope fractionation in low temperature ³²O2/³⁶O2 ices - Ozone as a case study // Physical Chemistry Chemical Physics 2011. — Vol. 13. Issue 2. — P. 421-427
• 5 Kaiser R.I., Goswami M., Maksyutenko P. etc. A crossed molecular beams and Ab initio study on the formation of C 6H3 radicals. an interface between resonantly stabilized and aromatic radicals // Journal of Physical Chemistry A 2011. — Vol. 115. Issue 37. — P. 10251-10258
• 6 Jamal A., Mebel A.M. An ab initio/RRKM study of the reaction mechanism and product branching ratios of the reactions of ethynyl radical with 1,2-butadiene // Chemical Physics Letters 2011. — Vol. 518. — P. 29-37
• 7 Morales S.B., Bennett C.J., Le Picard S.D. etc. A crossed molecular beam, low-temperature kinetics, and theoretical investigation of the reaction of the cyano radical (CN) with 1,3-butadiene (C4H6). A route to complex nitrogen-bearing molecules in low-temperature extraterrestrial environments // Astrophysical Journal 2011. — Vol. 742. Issue 1.
• 8 Landera A., Mebel A.M. Addition of vinylacetylene (C 4H 4) to phenyl radical (C 6H 5): A theoretical and kinetic investigation towards the formation of naphthalene in combustion flames // ACS National Meeting Book of Abstracts. — 2011. —
• 9 Jones B.M., Zhang F., Kaiser R.I. etc. Formation of benzene in the interstellar medium // Proceedings of the National Academy of Sciences of the United States of America 2011. — Vol. 108. Issue 2. — P. 452-457
• 10 Jamal A., Mebel A.M. Reactions of C2H with 1- and 2-butynes: An Ab initio/RRKM study of the reaction mechanism and product branching ratios // Journal of Physical Chemistry A 2011. — Vol. 115. Issue 11. — P. 2196-2207
• 11 Wnuk S.F., Penjarla J.A.K., Dang T. etc. Modeling of the ribonucleotide reductases substrate reaction. Hydrogen atom abstraction by a thiyl free radical and detection of the ribosyl-based carbon radical by pulse radiolysis // Collection of Czechoslovak Chemical Communications 2011. — Vol. 76. Issue 10. — P. 1223-1238
• 12 Landera A., Kaiser R.I., Mebel A.M. Addition of one and two units of C2H to styrene: A theoretical study of the C10H9 and C12H9 systems and implications toward growth of polycyclic aromatic hydrocarbons at low temperatures // The Journal of chemical physics 2011. — Vol. 134. Issue 2.
• 13 Zhang F., Parker D., Kim Y.S. etc. On the formation of ortho-benzyne (o-C6H4) under single collision conditions and its role in interstellar chemistry // Astrophysical Journal 2011. — Vol. 728. Issue 2.

2010

• 1 Christiansen C.J., Dalal S.S., Francisco J.S. etc. Hydroxyl radical substitution in halogenated carbonyls: Oxalic acid formation // Journal of Physical Chemistry A 2010. — Vol. 114. Issue 8. — P. 2806-2820
• 2 Gichuhi W.K., Mebel A.M., Suits A.G. UV photodissociation of ethylamine cation: A combined experimental and theoretical investigation // Journal of Physical Chemistry A 2010. — Vol. 114. Issue 51. — P. 13296-13302
• 3 Landera A., Mebel A.M. Mechanisms of formation of nitrogen-containing polycyclic aromatic compounds in low-temperature environments of planetary atmospheres: A theoretical study // Faraday Discussions 2010. — Vol. 147. — P. 479-494
• 4 Kaiser R.I., Maksyutenko P., Ennis C. etc. Untangling the chemical evolution of Titan's atmosphere and surface-from homogeneous to heterogeneous chemistry // Faraday Discussions 2010. — Vol. 147. — P. 429-478
• 5 Jones B., Zhang F., Maksyutenko P. etc. Crossed molecular beam study on the formation of phenylacetylene and its relevance to titan's atmosphere // Journal of Physical Chemistry A 2010. — Vol. 114. Issue 16. — P. 5256-5262
• 6 Zhou L., Zheng W., Kaiser R.I. etc. Cosmic-ray-mediated formation of benzene on the surface of Saturn's moon Titan // Astrophysical Journal 2010. — Vol. 718. Issue 2. — P. 1243-1251
• 7 Jamal A., Mebel A.M. An ab initio/RRKM study of the reaction mechanism and product branching ratios of the reactions of ethynyl radical with allene and methylacetylene // Physical Chemistry Chemical Physics 2010. — Vol. 12. Issue 11. — P. 2606-2618
• 8 Kaiser R.I., Sun B.J., Lin H.M. etc. An experimental and theoretical study on the ionization energies of polyynes (H-(C≡C)n-H; n = 1-9) // Astrophysical Journal 2010. — Vol. 719. Issue 2. — P. 1884-1889
• 9 Sebree J.A., Kislov V.V., Mebel A.M. etc. Spectroscopic and thermochemical consequences of site-specific H-atom addition to naphthalene // Journal of Physical Chemistry A 2010. — Vol. 114. Issue 21. — P. 6255-6262
• 10 Huang C., Zhang F., Kaiser R.I. etc. Photodissociation of the diacetylene dimer and implications for hydrocarbon growth in Titan's atmosphere // Astrophysical Journal 2010. — Vol. 714. Issue 2. — P. 1249-1255
• 11 Kaiser R.I., Mebel A., Kostko O. etc. On the ionization energies of C4H3 isomers // Chemical Physics Letters 2010. — Vol. 485. Issue 4-6. — P. 281-285
• 12 Zhang F., Maksyutenko P., Kaiser R.I. etc. On the directed gas phase synthesis of the imidoborane molecule (HNBH) - An isoelectronic molecule of acetylene (HCCH) // Journal of Physical Chemistry A 2010. — Vol. 114. Issue 46. — P. 12148-12154
• 13 Sebree J.A., Kislov V.V., Mebel A.M. etc. Isomer specific spectroscopy of C10Hn, n = 8-12: Exploring pathways to naphthalene in Titan's atmosphere // Faraday Discussions 2010. — Vol. 147. — P. 231-249
• 14 Landrum J.T., Chatfield D.C., Mebel A.M. etc. The conformation of end-groups is one determinant of carotenoid topology suitable for high fidelity molecular recognition: A study of β- and ε-end-groups // Archives of Biochemistry and Biophysics 2010. — Vol. 493. Issue 2. — P. 169-174
• 15 Trakhtenberg L.I., Fokeyev A.A., Zyubin A.S. etc. Effect of the medium on intramolecular H-atom tunneling: Cis-trans conversion of formic acid in solid matrixes of noble gases // Journal of Physical Chemistry B 2010. — Vol. 114. Issue 51. — P. 17102-17112
• 16 Zhang F., Jones B., Maksyutenko P. etc. Formation of the phenyl radical [C6H5(X ²A1)] under Single collision conditions: A crossed molecular beam and ab initio study // Journal of the American Chemical Society 2010. — Vol. 132. Issue 8. — P. 2672-2683
• 17 Kislov V.V., Mebel A.M. Ab initio/RRKM-ME study on the mechanism and kinetics of the reaction of phenyl radical with 1,2-butadiene // Journal of Physical Chemistry A 2010. — Vol. 114. Issue 29. — P. 7682-7692

2009

• 1 Gu X., Kaiser R.I., Mebel A.M. etc. A crossed molecular beams study on the formation of the exotic cyanoethynyl radical in titan's atmosphere // Astrophysical Journal 2009. — Vol. 701. Issue 2. — P. 1797-1803
• 2 Krishtal S.P., Mebel A.M., Kaiser R.I. A theoretical study of the reaction mechanism and product branching ratios of C2H + C2H4 and related reactions on the C4H5 potential energy surface // Journal of Physical Chemistry A 2009. — Vol. 113. Issue 42. — P. 11112-11128
• 3 Mebel A.M., Kislov V.V. Can the C5H5 + C5H5 →C10H10→ →C10H9 + H/C10H8 + H2 reaction produce naphthalene? An ab initio/RRKM study // Journal of Physical Chemistry A 2009. — Vol. 113. Issue 36. — P. 9825-9833
• 4 Gu X., Kim Y.S., Kaiser R.I. etc. Chemical dynamics of triacetylene formation and implications to the synthesis of polyynes in Titan's atmosphere // Proceedings of the National Academy of Sciences of the United States of America 2009. — Vol. 106. Issue 38. — P. 16078-16083
• 5 Zhou C.-W., Mebel A.M., Li X.-Y. An ab Initio/rice-ramsperger-kassel-marcus study of the reactions of propenols with OH. mechanism and kinetics of H abstraction channels // Journal of Physical Chemistry A 2009. — Vol. 113. Issue 40. — P. 10667-10677
• 6 Zhang F., Kim S., Kaiser R.I. etc. Formation of the 1,3,5-\(C 6H(X ²II)) via the crossed beams reaction of dicarbon (C 2(X ¹Σ g⁺/a ³II u)), with Diacetylene (C 4H 2(X ¹Σ g⁺)) // Journal of Physical Chemistry A 2009. — Vol. 113. Issue 7. — P. 1210-1217
• 7 Gu X., Zhang F., Kaiser R.I. etc. Reaction dynamics of the phenyl radical with 1,2-butadiene // Chemical Physics Letters 2009. — Vol. 474. Issue 1-3. — P. 51-56
• 8 Wang Q., Wu D., Zhang D. etc. Ionization and dissociation processes of pyrrolidine in intense femtosecond laser field // Journal of Physical Chemistry C 2009. — Vol. 113. Issue 27. — P. 11805-11815
• 9 Zhang F., Kim S., Kaiser R.I. etc. A crossed beams and ab initio investigation on the formation of cyanodiacetylene in the reaction of cyano radicals with diacetylene // The Journal of chemical physics 2009. — Vol. 130. Issue 23.
• 10 Zhang F., Kim Y.S., Kaiser R.I. etc. Crossed molecular beams study on the formation of vinylacetylene in Titan's atmosphere // Journal of Physical Chemistry A 2009. — Vol. 113. Issue 42. — P. 11167-11173
• 11 Silva R., Gichuhi W.K., Kislov V.V. etc. UV photodissociation of cyanoacetylene: A combined ion imaging and theoretical investigation // Journal of Physical Chemistry A 2009. — Vol. 113. Issue 42. — P. 11182-11186
• 12 Kaiser R.I., Zhang F., Gu X. etc. Reaction dynamics of the phenyl radical (C6H5) with 1-butyne (HCCC2H5) and 2-butyne (CH3CCCH3) // Chemical Physics Letters 2009. — Vol. 481. Issue 1-3. — P. 46-53
• 13 Yao L., Mebel A.M., Lin S.H. Dissociation rate constant of the hydrogen fluoride dimer by the ab initio anharmonic RRKM theory // Journal of Physical Chemistry A 2009. — Vol. 113. Issue 52. — P. 14664-14669
• 14 Yao L., He R.X., Mebel A.M. etc. On the calculation of the dissociation rate constant of the water dimer by the ab initio anharmonic RRKM theory // Chemical Physics Letters 2009. — Vol. 470. Issue 4-6. — P. 210-214
• 15 Trakhtenberg L.I., Fokeyev A.A., Zyubin A.S. etc. Matrix reorganization with intramolecular tunneling of H atom: Formic acid in Ar matrix // The Journal of chemical physics 2009. — Vol. 130. Issue 14.
• 16 Zyubin A.S., Mebel A.M., Hayashi M. etc. Quantum chemical modeling of photoabsorption properties of two- and three-nitrogen vacancy point defects in diamond // Journal of Physical Chemistry C 2009. — Vol. 113. Issue 24. — P. 10432-10440
• 17 Zyubin A.S., Mebel A.M., Hayashi M. etc. Quantum chemical modeling of photoadsorption properties of the nitrogen-vacancy point defect in diamond // Journal of Computational Chemistry 2009. — Vol. 30. Issue 1. — P. 119-131

2008

• 1 Silva R., Gichuhi W.K., Huang C. etc. H elimination and metastable lifetimes in the UV photoexcitation of diacetylene // Proceedings of the National Academy of Sciences of the United States of America 2008. — Vol. 105. Issue 35. — P. 12713-12718
• 2 Kaiser R.I., Mebel A.M. On the formation of higher carbon oxides in extreme environments // Chemical Physics Letters 2008. — Vol. 465. Issue 1-3. — P. 1-9
• 3 Jamieson C.S., Mebel A.M., Kaiser R.I. First detection of the Cs symmetric isomer of carbon hexaoxide (CO6) at 10 K // Chemical Physics Letters 2008. — Vol. 450. Issue 4-6. — P. 312-317
• 4 Landera A., Mebel A.M., Kaiser R.I. Theoretical study of the reaction mechanism of ethynyl radical with benzene and related reactions on the C8H7 potential energy surface // Chemical Physics Letters 2008. — Vol. 459. Issue 1-6. — P. 54-59
• 5 Mebel A.M., Bandrauk A.D. Theoretical study of unimolecular decomposition of allene cations // The Journal of chemical physics 2008. — Vol. 129. Issue 22.
• 6 Zyubina T.S., Mebel A.M., Hayashi M. etc. Theoretical study of multiphoton ionization of cyclohexadienes and unimolecular decomposition of their mono- and dications // Physical Chemistry Chemical Physics 2008. — Vol. 10. Issue 17. — P. 2321-2331
• 7 Kislov V.V., Mebel A.M. An ab initio G3-type/statistical theory study of the formation of indene in combustion flames. II. The pathways originating from reactions of cyclic C ⁵ species-cyclopentadiene and cyclopentadienyl radicals // Journal of Physical Chemistry A 2008. — Vol. 112. Issue 4. — P. 700-716
• 8 Zyubin A.S., Mebel A.M., Chang H.C. etc. Potential energy surfaces for the lowest excited states of the nitrogen-vacancy point defects in diamonds: A quantum chemical study // Chemical Physics Letters 2008. — Vol. 462. Issue 4-6. — P. 251-255
• 9 Mebel A.M., Kislov V.V., Kaiser R.I. Photoinduced mechanism of formation and growth of polycyclic aromatic hydrocarbons in low-temperature environments via successive ethynyl radical additions // Journal of the American Chemical Society 2008. — Vol. 130. Issue 41. — P. 13618-13629
• 10 Landera A., Krishtal S.P., Kislov V.V. etc. Theoretical study of the C6 H3 potential energy surface and rate constants and product branching ratios of the C2 H (+2) + C4 H2 (g+1) and C4 H (+2) + C2 H2 (g+1) reactions // The Journal of chemical physics 2008. — Vol. 128. Issue 21.
• 11 Wang Q., Wu D., Jin M. etc. Experimental and theoretical investigations of ionization/dissociation of cyclopentanone molecule in a femtosecond laser field // The Journal of chemical physics 2008. — Vol. 129. Issue 20.

2007

• 1 Joshi S.S., Mebel A.M. Computational modeling of biodegradable blends of starch amylose and poly-propylene carbonate // Polymer 2007. — Vol. 48. Issue 13. — P. 3893-3901
• 2 Jamieson C.S., Mebel A.M., Kaiser R.I. First detection of the C2 symmetric isomer of carbon pentaoxide (CO5) at 10 K // Chemical Physics Letters 2007. — Vol. 443. Issue 1-3. — P. 49-54
• 3 Mebel A.M., Kim G.-S., Kislov V.V. etc. The reaction of tricarbon with acetylene: An ab initio/RRKM study of the potential energy surface and product branching ratios // Journal of Physical Chemistry A 2007. — Vol. 111. Issue 29. — P. 6704-6712
• 4 Kislov V.V., Mebel A.M. Ab initio G3-type/statistical theory study of the formation of indene in combustion flames. I. Pathways involving benzene and phenyl radical // Journal of Physical Chemistry A 2007. — Vol. 111. Issue 19. — P. 3922-3931
• 5 Guo Y., Mebel A.M., Zhang F. etc. Crossed molecular beam studies of the reactions of allyl radicals, C 3H5(X²A2), with methylacetylene (CH3CCH(X¹A1)), allene (H2CCCH 2(X¹A1)), and their isotopomers // Journal of Physical Chemistry A 2007. — Vol. 111. Issue 23. — P. 4914-4921
• 6 Yao L., Mebel A.M., Lu H.F. etc. Anharmonic effect on unimolecular reactions with application to the photodissociation of ethylene // Journal of Physical Chemistry A 2007. — Vol. 111. Issue 29. — P. 6722-6729
• 7 Dyakov Y.A., Mebel A.M., Lin S.H. etc. Photodissociation of 1,3,5-triazine; An ab initio and RRKM study // Journal of Physical Chemistry A 2007. — Vol. 111. Issue 38. — P. 9591-9599
• 8 Lin M.-F., Dyakov Y.A., Lee Y.T. etc. Photodissociation of S atom containing amino acid chromophores // The Journal of chemical physics 2007. — Vol. 127. Issue 6.
• 9 Gu X., Guo Y., Mebel A.M. etc. A crossed beam investigation of the reactions of tricarbon molecules, C3 (X¹ Σg⁺), with acetylene, C2 H2 (X¹ Σg⁺), ethylene, C2 H4 (X¹ Ag), and benzene, C6 H6 (X¹ A1 g) // Chemical Physics Letters 2007. — Vol. 449. Issue 1-3. — P. 44-52
• 10 Gu X., Guo Y., Zhang F. etc. A crossed molecular beams study on the formation and energetics of the resonantly stabilized free i-C4H3(X²A′) radical and its isotopomers // Chemical Physics 2007. — Vol. 335. Issue 2-3. — P. 95-108
• 11 Longenecker J.G., Mebel A.M., Kaiser R.I. First infrared spectroscopic detection of the monobridged diboranyl radical (B2H5, C2v) and its D5-isotopomer in low-temperature diborane ices // Inorganic Chemistry 2007. — Vol. 46. Issue 14. — P. 5739-5743
• 12 Mebel A.M., Kislov V.V., Hayashi M. Prediction of product branching ratios in the C(³P)+C 2H2 →l- C3H+Hc-C3H+HC 3+H2 reaction using ab initio coupled clusters calculations extrapolated to the complete basis set combined with Rice-Ramsperger-Kassel-Marcus and radiationless transition theories // The Journal of chemical physics 2007. — Vol. 126. Issue 20.
• 13 Xu T., Kamat P.V., Joshi S. etc. Hydroxyl radical mediated degradation of phenylarsonic acid // Journal of Physical Chemistry A 2007. — Vol. 111. Issue 32. — P. 7819-7824
• 14 Gu X., Guo Y., Zhang F. etc. Unimolecular decomposition of chemically activated singlet and triplet D3-methyldiacetylene molecules // Chemical Physics Letters 2007. — Vol. 444. Issue 4-6. — P. 220-225
• 15 Zyubina T.S., Pisareva A.V., Dobrovolsky Y.A. etc. Modeling the hydration and proton transport in solid electrolytes based on phenolsulfonic acids // Russian Journal of Electrochemistry 2007. — Vol. 43. Issue 5. № 5. — P. 502-512
• 16 Jamieson C.S., Mebel A.M., Kaiser R.I. Novel detection of the C2v isomer of carbon tetraoxide (CO4) // Chemical Physics Letters 2007. — Vol. 440. Issue 1-3. — P. 105-109
• 17 Gu X., Guo Y., Zhang F. etc. A crossed molecular beams study of the reaction of dicarbon molecules with benzene // Chemical Physics Letters 2007. — Vol. 436. Issue 1-3. — P. 7-14
• 18 Chin C.-H., Mebel Alexander.M., Kim G.-S. etc. Theoretical investigations of spectroscopy and excited state dynamics of adenine // Chemical Physics Letters 2007. — Vol. 445. Issue 4-6. — P. 361-369
• 19 Zyubin A.S., Mebel A.M., Lin S.H. Optical properties of oxygen vacancies in germanium oxides: Quantum chemical modeling of photoexcitation and photoluminescence // Journal of Physical Chemistry A 2007. — Vol. 111. Issue 38. — P. 9479-9485
• 20 Guo Y., Gu X., Zhang F. etc. A crossed molecular beam study on the formation of hexenediynyl radicals (H2CCCCCCH; C6H3 (X²A′)) via reactions of tricarbon molecules, C3(X¹Σ g⁺), with allene (H2CCCH2; X ¹A1) and methylacetylene (CH3CCH; X ¹A1) // Physical Chemistry Chemical Physics 2007. — Vol. 9. Issue 16. — P. 1972-1979
• 21 Zyubin A.S., Dembovskii S.A., Mebel A.M. Electronic excitations of hypervalent configurations in amorphous selenium: Quantum-chemical modeling // Russian Journal of Inorganic Chemistry 2007. — Vol. 52. Issue 9. — P. 1407-1414
• 22 Sharifti M., Kong F., Chin S.L. etc. Experimental and theoretical investigation of high-power laser ionization and dissociation of methane // Journal of Physical Chemistry A 2007. — Vol. 111. Issue 38. — P. 9405-9416
• 23 Kislov V.V., Mebel A.M. The formation of naphthalene, azulene, and fulvalene from cyclic C 5 species in combustion: An ab initio/RRKM study of 9-H-fulvalenyl (C5H5-C5H4) radical rearrangements // Journal of Physical Chemistry A 2007. — Vol. 111. Issue 38. — P. 9532-9543

2006

• 1 Guo Y., Gu X., Zhang F. etc. Unimolecular decomposition of chemically activated pentatetraene (H 2CCCCCH 2) intermediates: A crossed beams study of dicarbon molecule reactions with allene // Journal of Physical Chemistry A 2006. — Vol. 110. Issue 37. — P. 10699-10707
• 2 Guo Y., Gu X., Zhang F. etc. Reaction dynamics of small carbon clusters with unsaturated hydrocarbons in the interstellar medium // AIP Conference Proceedings. — 2006. — Vol. 855. — P. 42-52
• 3 Guo Y., Kislov V.V., Gu X. etc. A combined experimental and theoretical study of the reaction of dicarbon (C2) with D1-acetylene (HCCD): Possible mechanisms for deuterium enrichment in the interstellar D1-butadiynyl radical, CCCCD(X ²∑⁺) // Astrophysical Journal 2006. — Vol. 653. Issue 2 I. — P. 1577-1582
• 4 Wang P., Woo H.K., Lau K.-C. etc. Infrared vibrational spectroscopy of cis-dichloroethene in Rydberg states // The Journal of chemical physics 2006. — Vol. 124. Issue 6.
• 5 Lin M.-F., Dyakov Y.A., Tseng C.-M. etc. Photodissociation dynamics of pyrimidine // The Journal of chemical physics 2006. — Vol. 124. Issue 8.
• 6 Jamieson C.S., Mebel A.M., Kaiser R.I. Identification of the D3h isomer of carbon trioxide (CO 3) and its implications for atmospheric chemistry // CHEMPHYSCHEM 2006. — Vol. 7. Issue 12. — P. 2508-2513
• 7 Charkin O.P., Klimenko N.M., Charkin D.O. etc. Theoretical study of host-guest interaction and its manifestations in the properties of model endohedral fullerenes with small covalent molecules inside the C n and C n H m cages // Russian Journal of Inorganic Chemistry 2006. — Vol. 51. Issue SUPPL. 1.
• 8 Dyakov Yu.A., Ni C.-K., Lin S.H. etc. Ab initio and RRKM study of photodissociation of azulene cation // Physical Chemistry Chemical Physics 2006. — Vol. 8. Issue 12. — P. 1404-1415
• 9 Mebel A.M., Kislov V.V., Kaiser R.I. Potential energy surface and product branching ratios for the reaction of dicarbon, C 2(X ¹∑ g⁺), with methylacetylene, CH 3CCH(X ¹A 1): An Ab Initio/RRKM study // Journal of Physical Chemistry A 2006. — Vol. 110. Issue 7. — P. 2421-2433
• 10 Jamieson C.S., Mebel A.M., Kaiser R.L. Understanding the kinetics and dynamics of radiation-induced reaction pathways in carbon monoxide ICE at 10 K // Astrophysical Journal, Supplement Series 2006. — Vol. 163. Issue 1. — P. 184-206
• 11 Cheng B.-M., Lu H.-C., Chen H.-K. etc. Absorption cross sections of NH3, NH2D, NHD 2 and ND3 in the spectral range 140-220 nm and implications for planetary isotopic fractionation // Astrophysical Journal 2006. — Vol. 647. Issue 2 I. — P. 1535-1542
• 12 Zyubin A.S., Mebel A.M., Lin S.H. Quantum chemical modeling of interaction between O=X〈 and O2X〈 point defects in silica and germania: Photoabsorption and photoluminescence // Bulletin of the Russian Academy of Sciences: Physics. — 2006. — Vol. 70. Issue 8. — P. 1316-1326
• 13 Mebel A.M., Kisiov V.V., Kaiser R.I. Ab initio/Rice-Ramsperger-Kassel-Marcus study of the singlet C 4H 4 potential energy surface and of the reactions of C 2 (X ¹Σ g⁺) with C 4H 4 (X ¹ A 1g⁺) and C( ¹D) with C 3H 4 (allene and methylacetylene) // The Journal of chemical physics 2006. — Vol. 125. Issue 13.
• 14 Zyubin A.S., Mebel A.M., Lin S.H. Photoluminescence of oxygen-deficient defects in germanium oxides: A quantum chemical study // The Journal of chemical physics 2006. — Vol. 125. Issue 6.
• 15 Dyakov Yu.A., Mebel A.M., Lin S.H. etc. Acetylene elimination in photodissociation of neutral azulene and its cation: An ab initio and RRKM study // Journal of the Chinese Chemical Society 2006. — Vol. 53. Issue 1. — P. 161-168
• 16 Charkin O.P., Klimenko N.M., Charkin D.O. etc. Theoretical study of isomerism, structure, and stability of dimers of C-doped aluminide clusters (C@Al12)2 and (C@Al 12)(L@Al12) (L = Si, Ge) // Russian Journal of Inorganic Chemistry 2006. — Vol. 51. Issue 4. — P. 599-607
• 17 Jamieson C.S., Mebel A.M., Kaiser R.I. Investigating the formation of intermediates in the reactions of carbon dioxide (CO2) with suprathermal oxygen and nitrogen atoms // AIP Conference Proceedings. — 2006. — Vol. 855. — P. 100-106
• 18 Gu X., Guo Y., Zhang F. etc. Reaction dynamics of carbon-bearing radicals in circumstellar envelopes of carbon stars // Faraday Discussions. — 2006. — Vol. 133. — P. 245-275
• 19 Zyubina T.S., Razumov V.F., Brichkin S.B. etc. Quantum-chemical study of crystal formation of supramolecular silver compounds with trans-1,2-Bis(4-pyridyl)ethylene and their electronic absorption spectra // Russian Journal of Inorganic Chemistry 2006. — Vol. 51. Issue 6. — P. 925-940
• 20 Gu X., Guo Y., Mebel A.M. etc. Chemical dynamics of the formation of the 1,3-butadiynyl radical (C 4H(X ²Σ ⁺)) and its isotopomers // Journal of Physical Chemistry A 2006. — Vol. 110. Issue 39. — P. 11265-11278

2005

• 1 Shieh J.-C., Wu J.-C., Li R. etc. Two-photon vibronic spectroscopy of allene at 7.0-10.5 eV: Experiment and theory // Molecular Physics 2005. — Vol. 103. Issue 2-3. — P. 229-248
• 2 Charkin O.P., Klimenko N.M., Charkin D.O. etc. Theoretical study of host-guest interaction in model endohedral fullerenes with linear triatomic and tetratomic molecules inside the CØ ⁷⁰ (D^5h) cage // Russian Journal of Inorganic Chemistry 2005. — Vol. 50. Issue 12. — P. 1903-1911
• 3 Zyubin A.S., Mebel A.M., Lin S.H. Quantum-chemical simulation of the optical properties of O=X< and O 2X< point defects in silicon and germanium oxides // Russian Journal of Inorganic Chemistry 2005. — Vol. 50. Issue 12. — P. 1912-1920
• 4 Jamieson C.S., Bennett C.J., Mebel A.M. etc. Investigating the mechanism for the formation of nitrous oxide [N 2O(X ¹Σ⁺)] in extraterrestrial ices // Astrophysical Journal 2005. — Vol. 624. Issue 1 I. — P. 436-447
• 5 Tokmakov I.V., Kim G.-S., Kislov V.V. etc. The reaction of phenyl radical with molecular oxygen: A G2M study of the potential energy surface // Journal of Physical Chemistry A 2005. — Vol. 109. Issue 27. — P. 6114-6127
• 6 Lin M.-F., Dyakov Y.A., Tseng C.-M. etc. Photodissociation dynamics of pyridine // The Journal of chemical physics 2005. — Vol. 123. Issue 5.
• 7 Charkin O.P., Klimenko N.M., Nguyen P.T. etc. Fragmentation of heme and hemin⁺ with sequential loss of carboxymethyl groups: A DFT and mass-spectrometry study // Chemical Physics Letters 2005. — Vol. 415. Issue 4-6. — P. 362-369
• 8 Zyubin A.S., Mebel A.M., Lin S.H. Photoluminescence of oxygen-containing surface defects in germanium oxides: A theoretical study // The Journal of chemical physics 2005. — Vol. 123. Issue 4.
• 9 Wang L., Kislov V.V., Mebel A.M. etc. Potential energy surface and product branching ratios for the reaction of F(²P) with the methyl radical: An ab initio/RRKM study // Chemical Physics Letters 2005. — Vol. 406. Issue 1-3. — P. 60-74
• 10 Mebel A.M., Kislov V.V. The C 2H 3 + O 2 reaction revisited: Is multireference treatment of the wave function really critical? // Journal of Physical Chemistry A 2005. — Vol. 109. Issue 32. — P. 6993-6997
• 11 Kislov V.V., Islamova N.I., Kolker A.M. etc. Hydrogen abstraction acetylene addition and Diels-Alder mechanisms of PAH formation: A detailed study using first principles calculations // Journal of Chemical Theory and Computation 2005. — Vol. 1. Issue 5. — P. 908-924
• 12 Zyubina T.S., Dyakov Y.A., Lin S.H. etc. Theoretical study of isomerization and dissociation of acetylene dication in the ground and excited electronic states // The Journal of chemical physics 2005. — Vol. 123. Issue 13.
• 13 Hayes M., Gustafsson M., Mebel A.M. etc. An improved potential energy surface for the F + H2 reaction // Chemical Physics 2005. — Vol. 308. Issue 3 SPEC.ISS.. — P. 259-266
• 14 Dyakov Yu.A., Ni C.-K., Lin S.H. etc. Photodissociation of azulene at 193 nm: Ab initio and RRKM study // Journal of Physical Chemistry A 2005. — Vol. 109. Issue 39. — P. 8774-8784
• 15 Charkin O.P., Klimenko N.M., Charkin D.O. etc. Ab initio study of host-guest interaction in model endohedral fullerenes with benzene and borazole molecules inside the C84 (D6h) cage // Russian Journal of Inorganic Chemistry 2005. — Vol. 50. Issue 11. — P. 1702-1709
• 16 Charkin O.P., Klimenko N.M., Charkin D.O. etc. Theoretical study of the isomerism of stepwise-dydrogenated aluminum clusters Al13H2n^- (n = 0-6) with the centered icosahedral Al13 framework // Russian Journal of Inorganic Chemistry 2005. — Vol. 50. Issue 1. — P. 50-60
• 17 Budyka M.F., Zyubina T.S., Ryabenko A.G. etc. Bond lengths and diameters of armchair single wall carbon nanotubes // Chemical Physics Letters 2005. — Vol. 407. Issue 4-6. — P. 266-271
• 18 Trakhtenberg L.I., Fokeyev A.A., Dolin S.P. etc. Temperature and pressure dependences of tunneling rate constant: Density-functional theory potential-energy surface for H-atom transfer in the fluorene-acridine system // The Journal of chemical physics 2005. — Vol. 123. Issue 11.
• 19 Mebel A.M., Zyubina T.S., Dyakov Y.A. etc. Potential energy surfaces in coulomb explosion of polyatomic molecules: Benzene and cyclohexane trications and acetylene dication // International Journal of Quantum Chemistry 2005. — Vol. 102. Issue 5 SPEC. ISS.. — P. 506-519
• 20 Jamieson C.S., Mebel A.M., Kaiser R.I. A matrix isolation study of the Cs symmetric OCNO(X ²A″) radical // Physical Chemistry Chemical Physics 2005. — Vol. 7. Issue 24. — P. 4089-4095

2004

• 1 Trakhtenberg L.I., Fokeyev A.A., Dolin S.P. etc. Rate constant for H-atom tunneling in the fluorene-acridine system based on DFT potential energy surface // Chemical Physics 2004. — Vol. 303. Issue 1-2. — P. 107-113
• 2 Charkin O.P., Klimenko N.M., Charkin D.O. etc. Theoretical study of isomerism in Alanes LAl12H12 with metal cations inside and outside of the icosahedral anion Al 12H12^2- // Russian Journal of Inorganic Chemistry 2004. — Vol. 49. Issue 10. — P. 1536-1546
• 3 Mebel A.M., Hayashi M., Kislov V.V. etc. Theoretical study of oxygen isotope exchange and quenching in the O( ¹D) + CO 2 reaction // Journal of Physical Chemistry A 2004. — Vol. 108. Issue 39. — P. 7983-7994
• 4 Wang L., Mebel A.M., Yang X. etc. Ab initio/RRKM study of the O( ¹D) + NH 3 reaction: Prediction of product branching ratios // Journal of Physical Chemistry A 2004. — Vol. 108. Issue 52. — P. 11644-11650
• 5 Charkin O.P., Klimenko N.M., Charkin D.O. etc. Ab initio study of host-guest interaction in model endohedral fullerenes with noble gas clusters Ng4 (Ng = He, Ne, Ar, Kr, Xe) inside the C60H36 and C84 cages // Russian Journal of Inorganic Chemistry 2004. — Vol. 49. Issue 9. — P. 1392-1402
• 6 Charkin O.P., Klimenko N.M., Charkin D.O. etc. Theoretical study of isomerism in doped aluminides LAl12 // Russian Journal of Inorganic Chemistry 2004. — Vol. 49. Issue 9. — P. 1382-1391
• 7 Zyubina T.S., Shilov G.V., Dobrovolsky Y.A. etc. Singularity of proton transport in salts of orthoperiodic and orthotellurium acids: Theoretical modeling using density functional calculations // Dalton Transactions 2004. — Issue 14. — P. 2170-2179
• 8 Hwang D.-Y., Mebel A.M. Theoretical study of TiO-catalyzed hydrogenation of carbon dioxide to formic acid // Journal of Physical Chemistry A 2004. — Vol. 108. Issue 46. — P. 10245-10251
• 9 Charkin O.P., Klimenko N.M., Charkin D.O. etc. Ab initio study of host-guest interaction in model endohedral fullerenes with noble gas clusters Ng4 (Ng = He, Ne, Ar, Kr, Xe) inside the C60H36 and C84 cages // Zhurnal Neorganicheskoj Khimii 2004. — Vol. 49. Issue 9. — P. 1508-1519
• 10 Charkin O.P., Klimenko N.M., Charkin D.O. etc. Theoretical study of host-guest interaction in model endohedral fullerenes with CH4 and He4 into the C60H36, C60H24, C84, and C60 cages // Russian Journal of Inorganic Chemistry 2004. — Vol. 49. Issue 5. — P. 723-733
• 11 Charkin O.P., Klimenko N.M., Charkin D.O. etc. Theoretical study of isomerism in doped aluminides LAl12 // Zhurnal Neorganicheskoj Khimii 2004. — Vol. 49. Issue 9. — P. 1498-1507
• 12 Bennett C.J., Jamieson C., Mebel A.M. etc. Untangling the formation of the cyclic carbon trioxide isomer in low temperature carbon dioxide ices // Physical Chemistry Chemical Physics 2004. — Vol. 6. Issue 4. — P. 735-746
• 13 Zyubina T.S., Lin S.H., Bandrauk A.D. etc. Dissociation pathways of cyclohexane trication // Chemical Physics Letters 2004. — Vol. 393. Issue 4-6. — P. 470-477
• 14 Kislov V.V., Nguyen T.L., Mebel A.M. etc. Photodissociation of benzene under collision-free conditions: An ab initio/Rice-Ramsperger-Kassel-Marcus study // The Journal of chemical physics 2004. — Vol. 120. Issue 15. — P. 7008-7017
• 15 Chin C.-H., Mebel A.M., Hwang D.-Y. Theoretical Study of the Reaction Mechanism of BO, B 2O 2, and BS with H 2 // Journal of Physical Chemistry A 2004. — Vol. 108. Issue 3. — P. 473-483
• 16 Charkin O.P., Klimenko N.M., Charkin D.O. etc. Theoretical study of host-guest interaction in model endohedral fullerenes with tetrahedral molecules and ions of MH4 hydrides into the C60H36, C60H24, C84, and C60 cages // Zhurnal Neorganicheskoj Khimii 2004. — Vol. 49. Issue 6. — P. 953-967
• 17 Hwang D.-Y., Mebel A.M. Theoretical study of the reaction mechanism of nitrogen hydrogenation on transition metal oxides (TiO, VO, and CuO) // Chemical Physics 2004. — Vol. 304. Issue 3. — P. 301-313
• 18 Vibók A., Halász G., Mebel A.M. etc. Analytic-numerical approach to calculate electronic nonadiabatic coupling terms: Study of the C 2H molecule and the H 2 + H system // International Journal of Quantum Chemistry. — 2004. — Vol. 99. Issue 5 SPEC. ISS.. — P. 594-604
• 19 Charkin O.P., Klimenko N.M., Charkin D.O. etc. Theoretical study of host-guest interaction in model endohedral fullerenes with CH4 and He4 into the C60H36, C60H24, C84, and C60 cages // Zhurnal Neorganicheskoj Khimii 2004. — Vol. 49. Issue 5. — P. 792-804
• 20 Charkin O.P., Klimenko N.M., Charkin D.O. etc. Theoretical study of host-guest interaction in model endohedral fullerenes with tetrahedral molecules and ions of MH4 hydrides inside the C 60H36, C60H24, C84, and C60 cages // Russian Journal of Inorganic Chemistry 2004. — Vol. 49. Issue 6. — P. 868-880
• 21 Hwang D.-Y., Mebel A.M. Reaction mechanism of hydrogenation of carbon dioxide to formic acid in the presence of scandium oxide: A density functional study // Chemical Physics Letters 2004. — Vol. 396. Issue 1-3. — P. 75-82
• 22 Charkin O.P., Klimenko N.M., Charkin D.O. etc. Theoretical study of isomerism in alanes LAl12H12 with metal cations inside and outside of the icosahedral anion Al12H12^2- // Zhurnal Neorganicheskoj Khimii 2004. — Vol. 49. Issue 10. — P. 1659-1669
• 23 Tseng C.-M., Dyakov Y.A., Huang C.-L. etc. Photoisomerization and photodissociation of aniline and 4-methylpyridine // Journal of the American Chemical Society 2004. — Vol. 126. Issue 28. — P. 8760-8768

2003

• 1 Lin M.-F., Huang C.-L., Kislov V.V. etc. H and CH3 eliminations in the photodissociation of chlorotoluene // The Journal of chemical physics 2003. — Vol. 119. Issue 15. — P. 7701-7704
• 2 Nguyen M.T., Nguyen T.L., Mebel A.M. etc. Azido-nitrene is probably the N4 molecule observed in mass spectrometric experiments // Journal of Physical Chemistry A 2003. — Vol. 107. Issue 28. — P. 5452-5460
• 3 Huang C.-L., Jiang J.-C., Mebel A.M. etc. Photodissociation dynamics of fluorobenzene // Journal of the American Chemical Society 2003. — Vol. 125. Issue 32. — P. 9814-9820
• 4 Nguyen T.L., Mebel A.M., Kaiser R.I. Potential energy surface and product branching ratios for the reaction of C(³Pj) with the allyl radical: An ab initio/RRKM study // Journal of Physical Chemistry A 2003. — Vol. 107. Issue 16. — P. 2990-2999
• 5 Lee H.-Y., Kislov V.V., Lin S.-H. etc. An ab initio/RRKM study of product branching ratios in the photodissociation of buta-1,2- and -1,3-dienes and but-2-yne at 193 nm // Chemistry - A European Journal 2003. — Vol. 9. Issue 3. — P. 726-740
• 6 Kim G.-S., Nguyen T.L., Mebel A.M. etc. Ab initio/RRKM study of the potential energy surface of triplet ethylene and product branching ratios of the C(³P) + CH4 reaction // Journal of Physical Chemistry A 2003. — Vol. 107. Issue 11. — P. 1788-1796
• 7 Liang K.K., Mebel A.M., Lin S.H. etc. Influence of distortion and Duschinsky effects on Marcus-type theories of electron transfer rate // Physical Chemistry Chemical Physics 2003. — Vol. 5. Issue 20. — P. 4656-4665
• 8 Englman R., Yahalom A., Baer M. etc. Experimental and calculational consequences of phases in molecules with multiple conical intersections // International Journal of Quantum Chemistry 2003. — Vol. 92. Issue 2 SPEC.. — P. 135-151
• 9 Sun Y.-C., Wang I.-T., Nguyen T.L. etc. A Combined Quantum Chemistry and RRKM Calculation Predicts the O( ¹D) + C2H6 Reaction Can Produce Water Molecule in a Collision-Free Crossed Molecular Beam Environment // Journal of Physical Chemistry A 2003. — Vol. 107. Issue 36. — P. 6986-6994
• 10 Zyubin A.S., Mebel A.M., Lin S.H. Quantum chemical modeling of photoabsorption and photoluminescence of the [AlO4]⁰ defect in bulk SiO2 // The Journal of chemical physics 2003. — Vol. 119. Issue 21. — P. 11408-11414
• 11 Hwang D.-Y., Mebel A.M. Reaction mechanism of nitrogen hydrogenation in the presence of scandium oxide: A density functional study // Chemical Physics Letters 2003. — Vol. 375. Issue 1-2. — P. 17-25
• 12 Billing G.D., Baer M., Mebel A.M. Absorption cross-section of the C2H molecule: Proper treatment of the conical intersection // Chemical Physics Letters 2003. — Vol. 372. Issue 1-2. — P. 1-7
• 13 Zyubin A.S., Mebel A.M. Performance of time-dependent density functional and Green functions methods for calculations of excitation energies in radicals and for Rydberg electronic states // Journal of Computational Chemistry 2003. — Vol. 24. Issue 6. — P. 692-700
• 14 Kaiser R.I., Balucani N., Charkin D.O. etc. A crossed beam and ab initio study of the C2(X ¹Σg⁺/a³∏u) + C2H2(X¹Σg⁺) reactions // Chemical Physics Letters 2003. — Vol. 382. Issue 1-2. — P. 112-119
• 15 Zyubin A.S., Mebel A.M. Accurate prediction of excitation energies to high-lying Rydberg electronic states: Rydberg states of acetylene as a case study // The Journal of chemical physics 2003. — Vol. 119. Issue 13. — P. 6581-6587
• 16 Hwang D.-Y., Mebel A.M. Reaction mechanism of the synthesis of ammonia in the N2/H2/BeO and N2/H2/FeO systems: A theoretical study // Journal of Physical Chemistry A 2003. — Vol. 107. Issue 25. — P. 5092-5100
• 17 Hwang D.-Y., Mebel A.M. Reaction mechanism of N2/H2 conversion to NH 3: A theoretical study // Journal of Physical Chemistry A 2003. — Vol. 107. Issue 16. — P. 2865-2874
• 18 Charkin O.P., Charkin D.O., Klimenko N.M. etc. A theoretical study of isomerism in doped aluminum MAl12 and MAl12X12 clusters with 40 and 50 valence electrons // Faraday Discussions. — 2003. — Vol. 124. Issue 1. — P. 215-237
• 19 Chin C.-H., Mebel A.M., Hwang D.-Y. Theoretical study of the reaction mechanism of boron atom with carbon dioxide // Chemical Physics Letters 2003. — Vol. 375. Issue 5-6. — P. 670-675

2002

• 1 Zyubina T.S., Kim G.-S., Lin S.H. etc. Dissociation pathways of benzene trication // Chemical Physics Letters 2002. — Vol. 359. Issue 3-4. — P. 253-261
• 2 Mebel A.M., Halász G.J., Vibók Á. etc. Quantization of the 3×3 nonadiabatic coupling matrix for three coupled states of the C2H molecule // The Journal of chemical physics 2002. — Vol. 117. Issue 3. — P. 991-1000
• 3 Kaiser R.I., Le T.N., Nguyen T.L. etc. A combined crossed molecular beam and ab initio investigation of C2 and C3 elementary reactions with unsaturated hydrocarbons—pathways to hydrogen deficient hydrocarbon radicals in combustion flames // Faraday Discussions 2002. — Vol. 119. Issue 1. — P. 51-66
• 4 Xia W.S., Zhu R.S., Lin M.C. etc. Low-energy paths for the unimolecular decomposition of CH3OH: A G2M/statistical theory study // Faraday Discussions 2002. — Vol. 119. Issue 1. — P. 191-205
• 5 Lee H.Y., Mebel A.M., Lin S.H. An ab initio/rice-ramsperger-kassel-marcus study of photodissociation of carbonyl cyanide // International Journal of Quantum Chemistry 2002. — Vol. 90. Issue 2. — P. 566-574
• 6 Glinka Y.D., Zyubin A.S., Mebel A.M. etc. Photoluminescence from mesoporous silica akin to that from nanoscale silicon: The nature of light-emitters // Chemical Physics Letters 2002. — Vol. 358. Issue 3-4. — P. 180-186
• 7 Kaiser R.I., Nguyen T.L., Mebel A.M. etc. Stripping dynamics in the reactions of electronically excited carbon atoms, C(¹D), with ethylene and propylene-production of propargyl and methylpropargyl radicals // The Journal of chemical physics 2002. — Vol. 116. Issue 4. — P. 1318-1324
• 8 Kim G.-S., Mebel A.M., Lin S.H. Ab initio study of excited electronic states and vibronic spectra of phenyl radical // Chemical Physics Letters 2002. — Vol. 361. Issue 5-6. — P. 421-431
• 9 Charkin O.P., Charkin D.O., Klimenko N.M. etc. A theoretical study of isomerism in doped aluminum XA112 clusters (X = B, Al, Ga, C, Si, Ge) with 40 valence electrons // Chemical Physics Letters 2002. — Vol. 365. Issue 5-6. — P. 494-504
• 10 Baer M., Mebel A.M., Englman R. Conical intersection revisited: Extension to an elliptic form // Chemical Physics Letters 2002. — Vol. 354. Issue 3-4. — P. 243-250
• 11 Kislov V.V., Mebel A.M., Lin S.H. Ab initio and DFT study of the formation mechanisms of polycyclic aromatic hydrocarbons: The phenanthrene synthesis from biphenyl and naphthalene // Journal of Physical Chemistry A 2002. — Vol. 106. Issue 25. — P. 6171-6182
• 12 Zyubin A.S., Glinka Y.D., Mebel A.M. etc. Red and near-infrared photoluminescence from silica-based nanoscale materials: Experimental investigation and quantum-chemical modeling // The Journal of chemical physics 2002. — Vol. 116. Issue 1. — P. 281-294
• 13 Wang C.C., Shu J., Lin J.J. etc. Experimental and theoretical investigations of the O(¹D) reaction with cyclopropane // The Journal of chemical physics 2002. — Vol. 116. Issue 19. — P. 8292-8299
• 14 Ho T.-S., Hollebeek T., Rabitz H. etc. A globally smooth ab initio potential surface of the 1 A′ state for the reaction S(¹D) + H2 // The Journal of chemical physics 2002. — Vol. 116. Issue 10. — P. 4124-4134
• 15 Halász G., Vibók Á., Mebel A.M. etc. Ab initio non-adiabatic coupling elements: The conical intersection between the 2²A′ and the 3²A′ of the H + H2 system // Chemical Physics Letters 2002. — Vol. 358. Issue 1-2. — P. 163-169
• 16 Liang K.K., Jiang J.C., Kislov V.V. etc. The crude born-oppenheimer adiabatic approximation of molecular potential energies // Advances in Chemical Physics 2002. — Vol. 124. — P. 505-555
• 17 Hwang D.-V., Mebel A.M. Theoretical study of the reaction mechanism of platinum oxide with methane // Chemical Physics Letters 2002. — Vol. 365. Issue 1-2. — P. 140-147
• 18 Mebel A.M., Kaiser R.I. The formation of interstellar C2N isomers in circumstellar envelopes of carbon stars: An ab initio study // Astrophysical Journal 2002. — Vol. 564. Issue 2 I. — P. 787-791
• 19 Hwang D.-Y., Mebel A.M. Ab initio study of the reaction mechanism of CO2 with Ti atom in the ground and excited electronic states // The Journal of chemical physics 2002. — Vol. 116. Issue 13. — P. 5633-5642
• 20 Hwang D.-V., Mebel A.M. Theoretical study on the reaction mechanism of Sc atoms with carbon dioxide // Chemical Physics Letters 2002. — Vol. 357. Issue 1-2. — P. 51-58
• 21 Baer M., Mebel A.M., Billing G.D. Curl equations as substratum for the derivation of the electronic nonadiabatic coupling terms // International Journal of Quantum Chemistry 2002. — Vol. 90. Issue 6. — P. 1577-1585
• 22 Hwang D.-Y., Mebel A.M. Ab initio study of the reaction mechanisms of NiO and NiS with H2 // Journal of Physical Chemistry A 2002. — Vol. 106. Issue 3. — P. 520-528
• 23 Zyubin A.S., Mebel A.M., Lin S.H. etc. Photoluminescence of silanone and dioxasilyrane groups in silicon oxides: A theoretical study // The Journal of chemical physics 2002. — Vol. 116. Issue 22. — P. 9889-9896
• 24 Schranz H.W., Smith S.C., Mebel A.M. etc. Prediction of absolute rate coefficients and product branching ratios for the C(³P)+allene reaction system // The Journal of chemical physics 2002. — Vol. 117. Issue 15. — P. 7055-7067
• 25 Mebel A.M., Kaiser R.I. An ab initio study on the formation of interstellar tricarbon isomers 1-C 3(X ¹∑ g⁺) and c-C 3(X ³A′ 2) // Chemical Physics Letters 2002. — Vol. 360. Issue 1-2. — P. 139-143
• 26 Hwang D.-Y., Mebel A.M. Activation of methane by neutral transition metal oxides (ScO, NiO, and PdO): A theoretical study // Journal of Physical Chemistry A 2002. — Vol. 106. Issue 50. — P. 12072-12083
• 27 Charkin O.P., Klimenko N.M., Moran D. etc. Theoretical study of complexes of closo-borane, alane, and gallane anions with cations of light metals inside and outside of icosahedral clusters [A12H12^2-] (A = B, Al, and Ga) // Journal of Physical Chemistry A 2002. — Vol. 106. Issue 47. — P. 11594-11602
• 28 Baer M., Mebel A.M., Billing G.D. Necessary conditions for a rigorous minimal diabatic potential matrix // Journal of Physical Chemistry A 2002. — Vol. 106. Issue 27. — P. 6499-6507

2001

• 1 Shiu Y.J., Hayashi M., Mebel A.M. etc. Computational formulas for symmetry-forbidden vibronic spectra and their application n-π* transition in neat acetone // The Journal of chemical physics 2001. — Vol. 115. Issue 9. — P. 4080-4094
• 2 Yeh Y.L., Zhang C., Held H. etc. Structure of the acetone liquid/vapor interface // The Journal of chemical physics 2001. — Vol. 114. Issue 4. — P. 1837-1843
• 3 Mebel A.M., Lin M.C., Chakraborty D. etc. Ab initio molecular orbital/Rice-Ramsperger-Kassel-Marcus theory study of multichannel rate constants for the unimolecular decomposition of benzene and the H+C6H5 reaction over the ground electronic state // The Journal of chemical physics 2001. — Vol. 114. Issue 19. — P. 8421-8435
• 4 Balucani N., Mebel A.M., Lee Y.T. etc. A combined crossed molecular beam and ab initio study of the reactions C2(X¹Σg⁺, a³Πu) + C2H4 → n-C4H3(X²A′) + H(²S1/2) // Journal of Physical Chemistry A 2001. — Vol. 105. Issue 43.
• 5 Le T.N., Lee H.-Y., Mebel A.M. etc. Ab initio MO study of the triplet C3H4 potential energy surface and the reaction of C(³Pj) with ethylene, C2H4 // Journal of Physical Chemistry A 2001. — Vol. 105. Issue 10. — P. 1847-1856
• 6 Nguyen T.L., Mebel A.M., Lin S.H. etc. Product branching ratios of the C(³P) + C2H3(²A′) and CH(²Π) + C2H2(1Σg⁺) reactions and photodissociation of H2CC≡CH(²B1) at 193 and 242 nm: An ab initio/RRKM study // Journal of Physical Chemistry A 2001. — Vol. 105. Issue 51. — P. 11549-11559
• 7 Nguyen T.L., Mebel A.M., Kaiser R.I. A theoretical investigation of the triplet carbon atom C(³P) + vinyl radical C2H3(2A′) reaction and thermochemistry of C3Hn (n = 1-4) species // Journal of Physical Chemistry A 2001. — Vol. 105. Issue 13. — P. 3284-3299
• 8 Charkin O.P., Klimenko N.M., Moran D. etc. Ab initia calculations of closo alane and gallane anions x@ai2h2with x atoms of inert gases or halogens inside the icosahedral fAl|2 and [Gai2] Clusters // Zhurnal Neorganicheskoj Khimii 2001. — Vol. 46. Issue 1. — P. 120-130
• 9 Balucani N., Mebel A.M., Lee Y.T. etc. A combined crossed molecular beam and ab initio study of the reactions C2(X¹Σg⁺, a³Πu) + C2H4 → n-C4H3(X²A′) + H(²S1/2) // Journal of Physical Chemistry A 2001. — Vol. 105. Issue 43.
• 10 Charkin O.P., Klimenko N.M., Moran D. etc. Ab initio Calculations of X@A12H^2-12 closo Alane and Gallane Anions with X Atoms of Inert Gases or Halogens Inside the Icosahedral [Al12] and [Ga12] Clusters // Russian Journal of Inorganic Chemistry 2001. — Vol. 46. Issue 1. — P. 110-120
• 11 Trung Ngoc L.E., Mebel A.M., Kaiser R.I. Ab initio study of C4H3 potential energy surface and reaction of ground-state carbon atom with propargyl radical // Journal of Computational Chemistry 2001. — Vol. 22. Issue 13. — P. 1522-1535
• 12 Mebel A.M., Hwang D.-Y. Theoretical study of the reaction mechanism of Fe atoms with H2O, H2S, O2 and H⁺ // Journal of Physical Chemistry A 2001. — Vol. 105. Issue 31. — P. 7460-7467
• 13 Zyubin A.S., Mebel A.M., Chao S.D. etc. Reaction dynamics of S(¹D)+H2/D2 on a new ab initio potential surface // The Journal of chemical physics 2001. — Vol. 114. Issue 1. — P. 320-330
• 14 Hwang D.-Y., Mebel A.M. Theoretical study of the reaction of beryllium oxide with methane // Chemical Physics Letters 2001. — Vol. 348. Issue 3-4. — P. 303-310
• 15 Balucani N., Lee H.Y., Mebel A.M. etc. A combined crossed beam and ab initio investigation on the reaction of carbon species with C4H6 isomers. III. 1,2-butadiene, H2CCCH(CH3) (X¹A′) - A non-Rice - Ramsperger - Kassel - Marcus system? // The Journal of chemical physics 2001. — Vol. 115. Issue 11. — P. 5107-5116
• 16 Hwang D.-Y., Mebel A.M. Conversion of CO to formaldehyde catalyzed by BeO: A theoretical study // Journal of Physical Chemistry A 2001. — Vol. 105. Issue 45. — P. 10433-10438
• 17 Nguyen T.L., Le T.N., Mebel A.M. Thermochemistry of cyclopentadienylidene (c-C5H4, C2v, ³B1), cyclopentadienyl radical (c-C5H5^•, C2v, ²B1) and 1,3-cyclopentadiene (c-C5H6, C2v, ¹A1): A theoretical study by the G2M(RCC,MP2) method // Journal of Physical Organic Chemistry 2001. — Vol. 14. Issue 3. — P. 131-138
• 18 Mebel A.M., Baer M., Rozenbaum V.M. etc. Ab initio study of nonadiabatic coupling matrix elements between excited 2²A^′ and 3²A^′ electronic states of C2H // Chemical Physics Letters 2001. — Vol. 336. Issue 1-2. — P. 135-142
• 19 Zhu R.S., Diau E.G.W., Lin M.C. etc. A computational study of the OH(OD) + CO reactions: Effects of pressure, temperature, and quantum-mechanical tunneling on product formation // Journal of Physical Chemistry A 2001. — Vol. 105. Issue 50. — P. 11249-11259
• 20 Kaiser R.I., Mebel A.M., Lee Y.T. Chemical dynamics of cyclopropynylidyne (c-C3H; X²B2) formation from the reaction of C(¹D) with acetylene, C2H2(X ¹Σg⁺) // The Journal of chemical physics 2001. — Vol. 114. Issue 1. — P. 231-239
• 21 Kaiser R.I., Lee H.Y., Mebel A.M. etc. The formation of C5H5 isomers as potential key intermediates to polycyclic aromatic hydrocarbon-like molecules // Astrophysical Journal 2001. — Vol. 548. Issue 2 PART 1. — P. 852-860
• 22 Lam-Nguyen T., Mebel A.M., Lin S.H. The role of the ground and excited potential energy surfaces in the O(¹D and ³P)+SiH4 reactions: A theoretical study // The Journal of chemical physics 2001. — Vol. 114. Issue 24. — P. 10816-10834
• 23 Baer M., Mebel A.M. Quantization of the Ab initio nonadiabatic coupling matrix: The C2H molecule as a case study // International Journal of Quantum Chemistry. — 2001. — Vol. 85. Issue 4-5. — P. 315-326
• 24 Hwang D.-Y., Mebel A.M. Theoretical study of the reaction mechanism of ScO with molecular hydrogen // Chemical Physics Letters 2001. — Vol. 341. Issue 3-4. — P. 393-399
• 25 Nguyen T.L., Kim G.-S., Mebel A.M. etc. A theoretical re-evaluation of the heat of formation of phenylcarbene // Chemical Physics Letters 2001. — Vol. 349. Issue 5-6. — P. 571-577
• 26 Rozenbaum V.M., Mebel A.M., Lin S.H. Intermolecular potential and equilibrium orientational states for dimers of non-polar molecules // Molecular Physics 2001. — Vol. 99. Issue 22. — P. 1883-1897
• 27 Mebel A.M., Yahalom A., Englman R. etc. The study of conical intersections between consecutive pairs of the five lowest ²A′ states of the C2H molecule // The Journal of chemical physics 2001. — Vol. 115. Issue 8. — P. 3673-3689
• 28 Charkin O.P., Klimenko N.M., Moran D. etc. Theoretical study of icosahedral closo-borane, -alane, and -gallane dianions (A12H12^2-; A = B, Al, Ga) with endohedral noble gas atoms (Ng = He, Ne, Ar, and Kr) and their lithium salts (Li[Ng@A12H12]^- and Li2[Ng@A12H12]) // Inorganic Chemistry 2001. — Vol. 40. Issue 27. — P. 6913-6922
• 29 Lin S.H., Mishima K., Hayashi M. etc. A theory of coulomb explosion of molecules // Journal of the Chinese Chemical Society 2001. — Vol. 48. Issue 6 A. — P. 963-969
• 30 Mebel A.M., Baer M., Lin S.H. Degenerate conical intersections: The interaction between the 3²A′ and 4²A′ electronic states of C2H as a case study // The Journal of chemical physics 2001. — Vol. 114. Issue 12. — P. 5109-5112
• 31 Shu J., Lin J.J., Wang C.C. etc. O(¹D) reaction with cyclopropane: Evidence of O atom insertion into the C-C bond // The Journal of chemical physics 2001. — Vol. 115. Issue 1. — P. 7-10
• 32 Kaiser R.I., Mebel A.M., Lee Y.T. etc. Unimolecular decomposition of chemically activated triplet C4HD3 complexes: A combined crossed-beam and ab initio study // The Journal of chemical physics 2001. — Vol. 115. Issue 11. — P. 5117-5125
• 33 Kaiser R.I., Nguyen T.L., Le T.N. etc. An ab initio investigation of reactions of carbon atoms, C(³Pj), with C2H4 and C3H6 in the interstellar medium // Astrophysical Journal 2001. — Vol. 561. Issue 2 PART 1. — P. 858-863
• 34 Glinka Yu.D., Zyubin A.S., Mebel A.M. etc. Photoluminescence properties of silica-based mesoporous materials similar to those of nanoscale silicon // European Physical Journal D 2001. — Vol. 8. Issue 3. — P. 279-283
• 35 Mebel A.M., Hayashi M., Jackson W.M. etc. Branching ratios of C2 products in the photodissociation of C2H at 193 nm // The Journal of chemical physics 2001. — Vol. 114. Issue 22. — P. 9821-9831

2000

• 1 Shieh J.-C., Chang J.-L., Wu J.-C. etc. Rydberg states of propyne at 6.8-10.5 eV studied by two-photon resonant ionization spectroscopy and theoretical calculation // The Journal of chemical physics 2000. — Vol. 112. Issue 17. — P. 7384-7393
• 2 Zyubin A.S., Mebel A.M., Lin S.H. Ab initio study of H photodetachment from the ethyl radical // Chemical Physics Letters 2000. — Vol. 323. Issue 5-6. — P. 441-447
• 3 Mebel A.M., Hwang D.-Y. Theoretical Study on the Reaction Mechanism of Nickel Atoms with Carbon Dioxide // Journal of Physical Chemistry A 2000. — Vol. 104. Issue 49. — P. 11622-11627
• 4 Hwang D.-Y., Mebel A.M. Theoretical study of the reversible storage of H2 by BeS // Journal of the American Chemical Society 2000. — Vol. 122. Issue 46. — P. 11406-11410
• 5 Hahndorf I., Lee H.Y., Mebel A.M. etc. A combined crossed beam and ab initio investigation on the reaction of carbon species with C4H6 isomers. I. The 1,3-butadiene molecule, H2CCHCHCH2(X¹ A′) // The Journal of chemical physics 2000. — Vol. 113. Issue 21. — P. 9622-9636
• 6 Mebel A.M., Kaiser R.I., Lee Y.T. Ab initio MO study of the global potential energy surface of C4H4 in triplet electronic state and the reactions of C(3P(j)) with C3H4 (allene and propyne) and C2(A³Π(u)) with C2H4(X¹A(1g)/⁺) // Journal of the American Chemical Society 2000. — Vol. 122. Issue 8. — P. 1776-1788
• 7 Nguyen T.L., Le T.N., Mebel A.M. etc. Heats of formation of small bicyclic hydrocarbons, spiropentadiene (C5H4), spiropentane (C5H8) and bicyclo[1.1.0]but-1(3)-ene (C4H4): A theoretical study by the G2M(RCC,MP2) method // Chemical Physics Letters 2000. — Vol. 326. Issue 5-6. — P. 468-476
• 8 Hwang D.-Y., Mebel A.M. Theoretical study on reforming of CO 2 catalyzed with Be // Chemical Physics Letters 2000. — Vol. 325. Issue 5-6. — P. 639-644
• 9 Hwang D.-Y., Mebel A.M. Reaction mechanism of CO2 with Ca atom: A theoretical study // Chemical Physics Letters 2000. — Vol. 331. Issue 5-6. — P. 526-532
• 10 Mebel A.M., Lai M.Y., Wang Y.L. Two-dimensional Ga-induced magic clusters on the Si surface: A density functional study // Chemical Physics Letters 2000. — Vol. 318. Issue 1-3. — P. 27-34
• 11 Huang L.C.L., Lee H.Y., Mebel A.M. etc. A combined crossed beam and ab initio investigation on the réaction of carbon species with C4H6 isomers. II. The dimethylacetylene molecule, H3CCCCH3(X¹A1g) // The Journal of chemical physics 2000. — Vol. 113. Issue 21. — P. 9637-9648
• 12 Mebel A.M., Baer M., Lin S.H. Probing the nature of surface intersection by ab initio calculations of the nonadiabatic coupling matrix elements: A conical intersection due to bending motion in C2H // The Journal of chemical physics 2000. — Vol. 112. Issue 24. — P. 10703-10706
• 13 Hwang D.-Y., Mebel A.M. Theoretical study on the reversible storage of H2 by BeO // Chemical Physics Letters 2000. — Vol. 321. Issue 1-2. — P. 95-100
• 14 Hwang D.-Y., Mebel A.M. Theoretical study on the reaction mechanism of CO2 with Mg // Journal of Physical Chemistry A 2000. — Vol. 104. Issue 32. — P. 7646-7650
• 15 Hayashi M., Chang R., Liang K.K. etc. Theoretical treatments of quantum beats // Tamkang Journal of Science and Engineering 2000. — Vol. 3. Issue 3 SPEC. ISS.. — P. 145-155
• 16 Hwang D.-Y., Mebel A.M. Ab initio study of the reaction mechanism of singlet and triplet N2O and their intersystem crossing // Chemical Physics 2000. — Vol. 259. Issue 1. — P. 89-97
• 17 Hwang D.-Y., Mebel A.M. Ab initio study of spin-forbidden unimolecular decomposition of carbon dioxide // Chemical Physics 2000. — Vol. 256. Issue 2. — P. 169-176

1999

• 1 Mebel A.M. Prediction of absolute rate constants for the reactions of NH2 with alkanes from ab initio G2M/TST calculations // Journal of Physical Chemistry A 1999. — Vol. 103. Issue 13. — P. 2088-2096
• 2 Mebel A.M., Najafian K., Charkin O.P. etc. An ab initio study of protonation of B12H12/^2-. Structure and non- rigidity of B12H13/^- and formation of B12H11/^- and B24H23/^3- // Journal of Molecular Structure: THEOCHEM 1999. — Vol. 461-462. — P. 187-202
• 3 Mebel A.M., Hayashi M., Liang K.K. etc. Ab initio calculations of yibronic spectra and dynamics for small polyatomic molecules: role of duschinsky effect // Journal of Physical Chemistry A 1999. — Vol. 103. Issue 50. — P. 10674-10690
• 4 Kaiser R.I., Mebel A.M., Chang A.H.H. etc. Crossed-beam reaction of carbon atoms with hydrocarbon molecules. V. Chemical dynamics of n-C4H3 formation from reaction of C(³Pj) with allene, H2CCCH2(X¹A1) // The Journal of chemical physics 1999. — Vol. 110. Issue 21. — P. 10330-10344
• 5 Mebel A.M., Lin H.L., Lin S.H. Ab initio molecular orbital and density functional study of the C6H6 · I2 complex in the ground and excited electronic states // International Journal of Quantum Chemistry 1999. — Vol. 72. Issue 4. — P. 307-318
• 6 Ju S.-S., Han C.-C., Wu C.-J. etc. The fragmentation of melamine: A study via electron-impact ionization, laser-desorption ionization, collision-induced dissociation, and density functional calculations of potential energy surface // Journal of Physical Chemistry B 1999. — Vol. 103. Issue 3. — P. 582-596
• 7 Mebel A.M., Moskaleva L.V., Lin M.C. Ab initio MO calculations for the reactions of NH2 with H2, H2O, NH3 and CH4: Prediction of absolute rate constants and kinetic isotope effects // Journal of Molecular Structure: THEOCHEM 1999. — Vol. 461-462. — P. 223-238
• 8 Liao D.W., Mebel A.M., Hayashi M. etc. Ab initio study of the n-π* electronic transition in acetone: Symmetry-forbidden vibronic spectra // The Journal of chemical physics 1999. — Vol. 111. Issue 1. — P. 205-215
• 9 Chang A.H.H., Hwang D.W., Yang X.-M. etc. Toward the understanding of ethylene photodissociation: Theoretical study of energy partition in products and rate constants // The Journal of chemical physics 1999. — Vol. 110. Issue 22. — P. 10810-10820
• 10 Hwang D.-Y., Mebel A.M., Wang B.-C. Ab initio study of the addition of atomic carbon with water // Chemical Physics 1999. — Vol. 244. Issue 2-3. — P. 143-149
• 11 Richardson Steven L., Francisco Joseph S., Mebel Alexander etc. Can chlorine anion catalyze the reaction of HOCl with HCl? // Computer Physics Communications 1999. — Vol. 121. — P. 724
• 12 Pinnaduwage L.A., Ding W.X., McCorkle D.L. etc. Enhanced electron attachment to Rydberg states in molecular hydrogen volume discharges // Journal of Applied Physics 1999. — Vol. 85. Issue 10. — P. 7064-7069

1998

• 1 Hayashi M., Yang T.-S., Yu J. etc. Vibronic and vibrational coherence and relaxation dynamics in the TCNE-HMB complex // Journal of Physical Chemistry A 1998. — Vol. 102. Issue 23. — P. 4256-4265
• 2 Mebel A.M., Von Ragué Schleyer P., Najafian K. etc. Structure and Nonrigidity of B9H9^2- and B9H10^-. Comparisons of BnHn^2- and BnHn+1^- Systems // Inorganic Chemistry 1998. — Vol. 37. Issue 8. — P. 1693-1703
• 3 Mebel A.M., Lin M.C., Morokuma K. Ab initio MO and TST calculations for the rate constant of the HNO + NO2 → HONO + NO reaction // International Journal of Chemical Kinetics 1998. — Vol. 30. Issue 10. — P. 729-736
• 4 Chang A.H.H., Mebel A.M., Yang X.-M. etc. Ab initio/RRKM approach toward the understanding of ethylene photodissociation // The Journal of chemical physics 1998. — Vol. 109. Issue 7. — P. 2748-2761
• 5 Mebel A.M., Lin M.C., Melius C.F. Rate constant of the HONO + HONO → H2O + NO + NO2 reaction from ab initio MO and TST calculations // Journal of Physical Chemistry A 1998. — Vol. 102. Issue 10. — P. 1803-1807
• 6 Mebel A.M., Lin S.H., Pinnaduwage L.A. Potential energy surfaces of excited states of H2^- // Chemical Physics Letters 1998. — Vol. 285. Issue 1-2. — P. 114-120
• 7 Von Schleyer P.R., Najafian K., Mebel A.M. The Large closo-Borane Dianions, BnHn^2- (n = 13-17) Are Aromatic, Why Are They Unknown? // Inorganic Chemistry 1998. — Vol. 37. Issue 26. — P. 6765-6772
• 8 Chang A.H.H., Mebel A.M., Yang X.-M. etc. Ab initio calculations of potential energy surface and rate constants for ethylene photodissociation at 193 and 157 nm // Chemical Physics Letters 1998. — Vol. 287. Issue 3-4. — P. 301-306
• 9 Hwang D.-Y., Mebel A.M. Ab initio study on the reaction mechanism of ozone with the chlorine atom // The Journal of chemical physics 1998. — Vol. 109. Issue 24. — P. 10847-10852
• 10 Mebel A.M., Jackson W.M., Chang A.H.H. etc. Photodissociation dynamics of propyne and allene: A view from ab initio calculations of the C3H(n) (n = 1-4) species and the isomerization mechanism for C3H2 // Journal of the American Chemical Society 1998. — Vol. 120. Issue 23. — P. 5751-5763

1997

• 1 Mebel A.M., Lin S.H., Yang X.M. etc. Theoretical study on the mechanism of the dissociation of benzene. The C5H3 + CH3 product channel // Journal of Physical Chemistry A 1997. — Vol. 101. Issue 36. — P. 6781-6789
• 2 Mebel A.M., Lin S.-H. Excited electronic states of the methyl radical. Ab initio molecular orbital study of geometries, excitation energies and vibronic spectra // Chemical Physics 1997. — Vol. 215. Issue 3. — P. 329-341
• 3 Hayashi M., Yang T.-S., Yu J. etc. On the theoretical investigation on spectroscopy of the electron donor-acceptor complex TCNE-HMB // Journal of Physical Chemistry A 1997. — Vol. 101. Issue 23. — P. 4156-4162
• 4 Jackson W.M., Mebel A.M., Lin S.H. etc. Using ab initio MO calculations to understand the photodissociation dynamics of CH2CCH2 and CH2C2 // Journal of Physical Chemistry A 1997. — Vol. 101. Issue 36. — P. 6638-6646
• 5 Mebel A.M., Lin S.-H., Chang C.-H. Theoretical study of vibronic spectra and photodissociation pathways of methane // Journal of Chemical Physics 1997. — Vol. 106. Issue 7. — P. 2612-2620
• 6 Mebel A.M., Lin M.C., Yu T. etc. Theoretical study of potential energy surface and thermal rate constants for the C6H5 + H2 and C6H6 + H reactions // Journal of Physical Chemistry A 1997. — Vol. 101. Issue 17. — P. 3189-3196
• 7 Wang Y.-L., Mebel A.M., Wu C.-J. etc. IR spectroscopy and theoretical vibrational calculation of the melamine molecule // Journal of the Chemical Society - Faraday Transactions 1997. — Vol. 93. Issue 19. — P. 3445-3451
• 8 Mebel A.M., Lin M.C. Reactions of NoXwith nitrogen hydrides // International Reviews in Physical Chemistry 1997. — Vol. 16. Issue 2. — P. 249-266
• 9 Hayashi M., Yang T.-S., Mebel A. etc. Vibronic and vibrational coherence and relaxation dynamics of molecules in condensed phases // Chemical Physics 1997. — Vol. 217. Issue 2-3 SPEC. ISS.. — P. 259-273
• 10 Mebel A.M., Chen Y.-T., Lin S.-H. Ab initio molecular orbital study of excited electronic states of the vinyl radical // Chemical Physics Letters 1997. — Vol. 275. Issue 1-2. — P. 19-27
• 11 Liao D.-W., Mebel A.M., Chen Y.-T. etc. Theoretical study of the structure, energetics, and the n-π* electronic transition of the acetone+nH2O (n=1-3) complexes // Journal of Physical Chemistry A 1997. — Vol. 101. Issue 51. — P. 9925-9934
• 12 Richardson S.L., Francisco J.S., Mebel A.M. etc. Can chlorine anion catalyze the reaction of HOCl with HCl? // Chemical Physics Letters 1997. — Vol. 270. Issue 5-6. — P. 395-398
• 13 Hsu C.-C., Lin M.C., Mebel A.M. etc. Ab initio study of the H + HONO reaction: Direct abstraction versus indirect exchange processes // Journal of Physical Chemistry A 1997. — Vol. 101. Issue 1. — P. 60-66
• 14 Park J., Dyakov I.V., Mebel A.M. etc. Experimental and theoretical studies of the unimolecular decomposition of nitrosobenzene: High-pressure rate constants and the C-N bond strength // Journal of Physical Chemistry A 1997. — Vol. 101. Issue 34. — P. 6043-6047
• 15 Mebel A.M., Hayashi M., Lin S.H. Ab initio calculations of vibronic coupling. Applications to symmetry-forbidden vibronic spectra and internal conversion in ethylene // Chemical Physics Letters 1997. — Vol. 274. Issue 1-3. — P. 281-292

1996

• 1 Mebel A.M., Chen Y.-T., Lin S.-H. On the theoretical investigation of vibronic spectra of ethylene by ab initio calculations of the Franck-Condon factors // The Journal of chemical physics 1996. — Vol. 105. Issue 20. — P. 9007-9020
• 2 Mebel A.M., Diau E.W.G., Lin M.C. etc. Ab initio and RRKM calculations for multichannel rate constants of the C2H3 + O2 reaction // Journal of the American Chemical Society 1996. — Vol. 118. Issue 40. — P. 9759-9771
• 3 Mebel A.M., Chen Y.-T., Lin S.-H. π-π ^* vibronic spectrum of ethylene from ab initio calculations of the Franck-Condon factors // Chemical Physics Letters 1996. — Vol. 258. Issue 1-2. — P. 53-62
• 4 Mebel A.M., Lin M.C., Morokuma K. etc. Theoretical study of reactions of N2O with NO and OH radicals // International Journal of Chemical Kinetics 1996. — Vol. 28. Issue 9. — P. 693-703
• 5 Mebel A.M., Luna A., Lin M.C. etc. A density functional study of the global potential energy surfaces of the [H,C,N,O] system in singlet and triplet states // The Journal of chemical physics 1996. — Vol. 105. Issue 15. — P. 6439-6454
• 6 Madden L.K., Mebel A.M., Lin M.C. etc. Theoretical study of the thermal isomerization of fulvene to benzene // Journal of Physical Organic Chemistry 1996. — Vol. 9. Issue 12. — P. 801-810
• 7 Luna A., Mebel A.M., Morokuma K. Density functional study of the global potential energy surfaces of the [H,C,N,O]⁺ system in doublet and quartet states // The Journal of chemical physics 1996. — Vol. 105. Issue 8. — P. 3187-3205
• 8 Moskaleva L.V., Mebel A.M., Lin M.C. The CH3+C5H5 reaction: A potential source of benene at high temperatures // Symposium (International) on Combustion 1996. — Vol. 26. Issue 1. — P. 521-526
• 9 Liu R., Morokuma K., Mebel A.M. etc. Ab initio study of the mechanism for the thermal decomposition of the phenoxy radical // Journal of Physical Chemistry 1996. — Vol. 100. Issue 22. — P. 9314-9322
• 10 Mebel A.M., Morokuma K. Theoretical study of the reaction of HCl with ClONO2 catalyzed by NO3^-. "Attachment-detachment" mechanism for the anion-catalyzed neutral reactions // Journal of Physical Chemistry 1996. — Vol. 100. Issue 8. — P. 2985-2992
• 11 Halbgewachs M.J., Diau E.W.G., Mebel A.M. etc. Thermal reduction of NO by NH3: Kinetic modeling of the NH2+NO product branching ratio // Symposium (International) on Combustion 1996. — Vol. 26. Issue 2. — P. 2109-2115
• 12 Mebel A.M., Diau E.W.G., Lin M.C. etc. Theoretical rate constants for the NH3 + NOx → NH2 + HNOx (x = 1, 2) reactions by ab initio MO/VTST calculations // Journal of Physical Chemistry 1996. — Vol. 100. Issue 18. — P. 7517-7525
• 13 Hsu C.-C., Mebel A.M., Lin M.C. Ab initio molecular orbital study of the HCO+O2 reaction: Direct versus indirect abstraction channels // The Journal of chemical physics 1996. — Vol. 105. Issue 6. — P. 2346-2352

1995

• 1 Mebel A.M., Lin M.C., Morokuma K. etc. Theoretical study of the gas-phase structure, thermochemistry, and decomposition mechanisms of NH4NO2 and NH4N(NO2)2 // Journal of Physical Chemistry 1995. — Vol. 99. Issue 18. — P. 6842-6848
• 2 Mebel A.M., Morokuma K., Lin M.C. Modification of the GAUSSIAN-2 theoretical model: The use of coupled-cluster energies, density-functional geometries, and frequencies // The Journal of chemical physics 1995. — Vol. 103. Issue 17. — P. 7414-7421
• 3 Mebel A.M., Morokuma K., Isobe K. A Theoretical Study of Rectangular Tetrasulfur in a Gas Phase and in the Tetranuclear [{Rh2(η⁵-C5Me5)2(μ-CH2)2}2(μ-S4)]²⁺ Complex // Inorganic Chemistry 1995. — Vol. 34. Issue 5. — P. 1208-1211
• 4 Yu T., Mebel A.M., Lin M.C. Reaction of phenoxy radical with nitric oxide // Journal of Physical Organic Chemistry 1995. — Vol. 8. Issue 1. — P. 47-53
• 5 Mebel A.M., Morokuma K., Lin M.C. Ab initio molecular orbital study of potential energy surface for the reaction of C2H3 with H2 and related reactions // The Journal of chemical physics 1995. — Vol. 103. Issue 9. — P. 3440-3449
• 6 Lin M.C., Mebel A.M. Ab initio molecular orbital study of the O + C6H5O reaction // Journal of Physical Organic Chemistry 1995. — Vol. 8. Issue 6. — P. 407-420
• 7 Musaev D.G., Matsubara T., Mebel A.M. etc. Ab initio molecular orbital studies of elementary reactions and homogeneous catalytic cycles with organometallic compounds // Pure and Applied Chemistry 1995. — Vol. 67. Issue 2. — P. 257-263
• 8 Mebel A.M., Morokuma K., Lin M.C. etc. Potential energy surface of the HNO + NO reaction. An ab initio molecular orbital study // Journal of Physical Chemistry 1995. — Vol. 99. Issue 7. — P. 1900-1908
• 9 Mebel A.M., Hsu C.-C., Lin M.C. etc. An ab initio molecular orbital study of potential energy surface of the NH2+NO2 reaction // The Journal of chemical physics 1995. — Vol. 103. Issue 13. — P. 5640-5649

1994

• 1 Mebel A.M., Morokuma K., Lin M.C. Ab initio molecular orbital study of potential energy surface for the NH+NO2 reaction // The Journal of chemical physics 1994. — Vol. 101. Issue 5. — P. 3916-3922
• 2 Mebel A.M., Lin M.C. Ab Initio Molecular Orbital Calculations of C6H5O2 Isomers // Journal of the American Chemical Society 1994. — Vol. 116. Issue 21. — P. 9577-9584
• 3 Mebel A.M., Morokuma K., Musaev D.G. Ab Initio MO Study of Cluster Rearrangements in Pentagonal Pyramidal Clusters: B6H10 Borane and [(IrB5H8)(CO)(PH3)2] Metallaborane // Journal of the American Chemical Society 1994. — Vol. 116. Issue 9. — P. 3932-3942
• 4 Musaev D.G., Mebel A.M., Morokuma K. An ab initio molecular orbital study of the mechanism of the rhodium(I)-catalyzed olefin hydroboration reaction // Journal of the American Chemical Society 1994. — Vol. 116. Issue 23. — P. 10693-10702
• 5 Herges R., Mebel A. Propargylene // Journal of the American Chemical Society 1994. — Vol. 116. Issue 18. — P. 8229-8237

1993

• 1 Mebel A.M., Musaev D.G., Morokuma K. Ab initio molecular orbital study of structure and NMR ¹¹B chemical shifts of Lewis base adducts of CO, NH3, PF3, and PH3 with small nido-boranes, B3H7 and B4H8 // Chemical Physics Letters 1993. — Vol. 214. Issue 1. — P. 69-76
• 2 Mebel A.M., Musaev D.G., Morokuma K. Ab initio molecular orbital study of mechanisms of the reaction of B2H6 with SH2 // Journal of Physical Chemistry 1993. — Vol. 97. Issue 29. — P. 7543-7552
• 3 Mebel A.M., Charkin O.P., Bühl M. etc. Structure and Nonrigidity of B10H11−. An ab Initio/IGLO/NMR Study // Inorganic Chemistry 1993. — Vol. 32. Issue 4. — P. 463-468
• 4 Mebel A.M., Musaev D.G., Morokuma K. An alternative mechanism of BH2SH formation in the reaction of B2H6 with SH2: concerted elimination of BH3 and H2 from H2S ·B2H6. Ab initio MO study // Chemical Physics Letters 1993. — Vol. 216. Issue 3-6. — P. 313-318
• 5 Mebel A.M., Charkin O.P., von Ragué Schleyer P. Theoretical Prediction of the Structure and Nonrigidity of B7H8⁻. Application of the ab Initio/IGLO/NMR Method // Inorganic Chemistry 1993. — Vol. 32. Issue 4. — P. 469-473

1992

• 1 Bühl M., Mebel A.M., Charkin O.P. etc. The Structure of B8H8^2- in Solution. Is B8H9^- also Involved? An Ab Initio/IGLO/NMR Study // Inorganic Chemistry 1992. — Vol. 31. Issue 18. — P. 3769-3775
• 2 Borisov E.V., Mebel Aleksandr Moiseevich, Knyazev B.A. etc. Comparative nonempirical study and isodesmic calculations of heats of formation of HNCO and HPCI isomers // Bulletin of the Russian Academy of Sciences Division of Chemical Science 1992. — Vol. 41. Issue 7. — P. 1222-1226
• 3 SOLNTSEV K.A., MEBEL A.M., VOTINOVA N.A. etc. POLYHEDRAL B12H12(2-) ANION AS SPACE-AROMATIC SYSTEM // KOORDINATSIONNAYA KHIMIYA 1992. — Vol. 18. Issue 4. № 4. — P. 340-364

1991

• 1 MEBEL A.M., KLIMENKO N.M., CHARKIN O.P. THEORETICAL-STUDY OF STRUCTURE AND STABILITY OF (BEH)K WHERE (K=2,4,6), A(BEH)4 AND (BEH)6 BERYLLOHYDRIDE CLUSTERS // ZHURNAL NEORGANICHESKOI KHIMII 1991. — Vol. 36. Issue 3. № 3. — P. 741-751
• 2 MEBEL A.M., CHARKIN O.P. NONEMPIRIC STUDY OF POTENTIAL SURFACE OF THE SHORTEST COURSE OF ALH+H2-]ALH3 REACTION // ZHURNAL NEORGANICHESKOI KHIMII 1991. — Vol. 36. Issue 9. № 9. — P. 2368-2375
• 3 MEBEL A.M., KLIMENKO N.M., CHARKIN O.P. THEORETICAL-STUDY OF HEALITHIDE ALI6 CLUSTERS // ZHURNAL NEORGANICHESKOI KHIMII 1991. — Vol. 36. Issue 2. № 2. — P. 439-450

1990

• 1 MEBEL A.M., CHARKIN O.P. THEORETICAL-STUDY OF THE STRUCTURE OF ALB5H6(2-),CB5H6-,SIB5H6 ANIONS AND THEIR PROTONATED DERIVATIVES OF ALB5H-7,CB5H7 AND SIB5H7 // ZHURNAL NEORGANICHESKOI KHIMII 1990. — Vol. 35. Issue 2. № 2. — P. 312-319

1989

• 1 Mebel Aleksandr Moiseevich, Charkin O.P. Theoretical study of migrational nonrigidity of molecules of salts of closo-boranes Li2B6H6, BeB6H6, (BeH)2B6H6, and LiB6H6- // Journal of Structural Chemistry 1989. — Vol. 30. Issue 2. — P. 173-183
• 2 MEBEL A.M., CHARKIN O.P., SOLNTSEV K.A. etc. THEORETICAL-STUDY OF A STRUCTURE AND MIGRATION LOOSENESS OF ANION-B12H13- // ZHURNAL NEORGANICHESKOI KHIMII 1989. — Vol. 34. Issue 6. № 6. — P. 1444-1448
• 3 MEBEL A.M., CHARKIN O.P., SOLNTSEV K.A. etc. THEORETICAL-STUDY OF THE STRUCTURE AND MIGRATION FLEXIBILITY OF B7H6- AND B8H9- ANIONS // ZHURNAL NEORGANICHESKOI KHIMII 1989. — Vol. 34. Issue 2. № 2. — P. 281-289
• 4 MUSAEV D.G., MEBEL A.M., CHARKIN O.P. etc. NONEMPIRIC INVESTIGATION OF ISOMERISM IN CUALO AND CUCP MOLECULES BY THE PSEUDOPOTENTIAL TECHNIQUE // KOORDINATSIONNAYA KHIMIYA 1989. — Vol. 15. Issue 9. № 9. — P. 1155-1161
• 5 MEBEL A.M., CHARKIN O.P., SOLNTSEV K.A. etc. THEORETICAL-STUDY OF A STRUCTURE AND MIGRATION LOOSENESS OF B9H10-ANION // ZHURNAL NEORGANICHESKOI KHIMII 1989. — Vol. 34. Issue 6. № 6. — P. 1435-1443
• 6 MEBEL A.M., CHARKIN O.P. THEORETICAL-STUDY OF THE REACTION OF MOLECULE-H2 SPLITTING-OFF ANION-B6H7- // ZHURNAL NEORGANICHESKOI KHIMII 1989. — Vol. 34. Issue 2. № 2. — P. 275-280
• 7 MEBEL A.M., CHARKIN O.P. THEORETICAL-STUDY OF STRUCTURE AND STABILITY OF FLUOROSUBSTITUTED DERIVATIVES OF CLOSO-BORATE ANION B6H6(2-) // ZHURNAL NEORGANICHESKOI KHIMII 1989. — Vol. 34. Issue 3. № 3. — P. 611-617

1988

• 1 KORKIN A.A., MEBEL A.M., TSVETKOV E.N. THEORETICAL-STUDY OF THE EFFECT OF PROTONATION ON THE PHOSPHORUS-NITROGEN BOND IN AMINOPHOSPHINES // ZHURNAL OBSHCHEI KHIMII 1988. — Vol. 58. Issue 5. № 5. — P. 1015-1021
• 2 Mebel Aleksandr Moiseevich, Charkin O.P., Solntsev K.A. etc. Theoretical study of structure and migration non-rigidity of the B10H11- closoborane anion // Zhurnal neorganicheskoi khimii 1988. — Vol. 33. Issue 9. — P. 2263-2268
• 3 KORKIN A.A., MEBEL A.M., BORISOV E.V. NONEMPIRICAL STUDY OF OXYPHOSPHONITRIDE (PNO) ISOMERS // BULLETIN OF THE ACADEMY OF SCIENCES OF THE USSR DIVISION OF CHEMICAL SCIENCE 1988. — Vol. 37. Issue 4. № 4. — P. 780-783

1987

• 1 MEBEL A.M., ZYUBINA T.S. NONEMPIRIC CALCULATIONS OF POTENTIAL SURFACE AND A STRUCTURE OF AL2O MOLECULE IN SINGLET AND TRIPLET-STATES // ZHURNAL NEORGANICHESKOI KHIMII 1987. — Vol. 32. Issue 6. № 6. — P. 1285-1289

1967

• 1 Mebel A.M., Morokuma K., Lin M.C. Ab initio molecular orbital study of potential energy surface for the reaction of C 2H 3 with H 2 and related reactions // Physics of Fluids 1967. — Vol. 10. Issue 11. — P. 3440-3449

ВАК

2024

• 1 Кузнецова А.А., Крикунова Л.И., Порфирьев Д.П. и др. Исследование реакции 1-аценафтила и молекулярного кислорода // Физика горения и взрыва. — 2024. — Т. 60. № 4. — С. 12-18
• 2 Крикунова Л.И., Кузнецова А.А., Порфирьев Д.П. и др. Теоретическое исследование реакции ацетонитрила с метиновым радикалом // Физика горения и взрыва. — 2024. — Т. 60. № 4. — С. 28-33

2023

• 1 Николаев А., Крикунова Л.И., Порфирьев Д.П. и др. Изомеризация ацетона в 1-пропен-2-ол в космических льдах // Краткие сообщения по физике Физического института им. П.Н. Лебедева РАН . — 2023. — Т. 50. № 1. — С. 22-27
• 2 Савченкова А.С., Семенихин А.С., Чечет И.В. и др. Образование радикалов пиридина за счет отрыва атома водорода: теоретическое исследование // Физика горения и взрыва. — 2023. — Т. 59. № 2. — С. 3-6

2022

• 1 Крикунова Л.И., Николаев А., Порфирьев Д.П. и др. Теоретическое исследование реакции пропаннитрила с метиновым радикалом в межзвездной среде // Краткие сообщения по физике Физического института им. П.Н. Лебедева РАН . — 2022. — Т. 49. № 12. — С. 18-25

2019

• 1 Галимова Г.Р., Олейников А.Д., Азязов В.Н. и др. Реакция C2H4 + C3H3 в горении // Физическое образование в ВУЗах. — 2019. — Т. 25. № 2C. — С. 141с-142с
• 2 Галимова Г.Р., Мебель А.М. Реакция 1-пропинила с диацетиленом // Физическое образование в ВУЗах. — 2019. — Т. 25. № 2C. — С. 196с-197с
• 3 Гильдина А.Р., Красноухов В.С., Мебель А.М. и др. Константы скорости для реакции 1-H- инден-1-она + H // Физическое образование в ВУЗах. — 2019. — Т. 25. № 2С. — С. 32С-35С
• 4 Красноухов В.С., Гильдина А.Р., Азязов В.Н. и др. Экстремумы на поверхности потенциальной энергии реакции циклопентадиенил и инденил радикала // Физическое образование в ВУЗах. — 2019. — Т. 25. № 2С. — С. 231С-234С
• 5 Олейников А.Д., Галимова Г.Р., Гильдина А.Р. и др. Исследования механизмов роста третьего ароматического кольца через реакции 2-нафтила C10H7 с метилацетиленом и алленом С3Н4 // Физическое образование в ВУЗах. — 2019. — Т. 25. № 2C. — С. 139с-140с

2018

• 1 Галимова Г.Р., Мебель А.М., Азязов В.Н. Квантовохимическое исследование механизма окисления C15H9 гидроксильным радикалом // Физическое образование в вузах. — 2018. — Т. 24. № S1. — С. 19-21
• 2 Гильдина А.Р., Мебель А.М., Азязов В.Н. Поверхность потенциальной энергии окисления инденила C9H7 // Краткие сообщения по физике Физического института им. П.Н. Лебедева РАН . — 2018. — Т. 45. № 10. — С. 3-8
• 3 Башкиров Е.К., Азязов В.Н., Мебель А.М. Теоретический расчет распределения продуктов реакции атомарного углерода с пиридином // Краткие сообщения по физике Физического института им. П.Н. Лебедева РАН . — 2018. — № 10. — С. 15-20

1988

• 1 Мебель А.М., Charkin O.P., Kuznetsov I.Yu. и др. Theoretical study of structure and migration non-rigidity of the B6H7- and LiB6H7 closoboranes // Журнал неорганической химии. — 1988. — Т. 33. № 6. — С. 1685-1689
• 2 Клименко Н.М., Мебель А.М., Чаркин Н.П. Особенности электронной структуры гиповалентных литидов АLik и АLik+1+ // Журнал структурной химии. — 1988. — Т. 29. № 3. — С. 22-27
• 3 Мебель А.М., Клименко Н.М., Чаркин О.П. Структура и стабильность литиевых кластеров АLik и АLik+1+ элементов второго и третьего периодов по данным неэмпирических расчетов с учетом электронной корреляции // Журнал структурной химии. — 1988. — Т. 29. № 3. — С. 12-21

Другие

2023

• 1 Николаев А., Азязов В.Н., Мебель А.М. ОБРАЗОВАНИЕ ПРОСТЕЙШИХ МЕТИЛ-ЗАМЕЩЕННЫХ ЦИКЛИЧЕСКИХ АРОМАТИЧЕСКИХ УГЛЕВОДОРОДОВ В РЕАКЦИЯХ С УЧАСТИЕМ 1-ПРОПИНИЛ РАДИКАЛА // XXI Всероссийская молодежная Самарская конкурс-конференция по оптике, лазерной физике и физике плазмы, посвященная 300-летию РАН. — 2023. — С. 115-116
• 2 Савченкова А.С., Голенко А.М., Семенихин А.С. и др. ОКИСЛЕНИЕ ПАРА-ПИРИДИЛА МОЛЕКУЛЯРНЫМ КИСЛОРОДОМ: ТЕОРЕТИЧЕСКОЕ ИССЛЕДОВАНИЕ // Международная научно-техническая конференция имени Н.Д. Кузнецова "Перспективы развития двигателестроения". — 2023. — Т. 1. — С. 471-472

2022

• 1 Крикунова Л.И., Николаев А., Порфирьев Д.П. и др. Potential energy surfaces for the Reaction of the Methylidyne Radical (CH X2П) with the Propionitrile C2H5CN (X1+) Molecule // International Conference on Physics and Chemistry of Combustion and Processes in Extreme Environments . — 2022. — С. 85
• 2 Nikolaev A., Azyazov V.N., Mebel A.M. Transformation of acetone into 1-propen-2-ol in the ice phase // 2nd International Conference on Physics and Chemistry of Combustion and Processes in Extreme Environments. — 2022. — P. 54
• 3 Николаев А., Рудь А.А., Азязов В.Н. и др. Диаграммы поверхности потенциальной энергии химического превращения ацетальдегида в этанимин во льдах аммиака // XX Всероссийский молодежный Самарский конкурс-конференция научных работ по оптике и лазерной физике, посвященный 100-летию со дня рождения Н.Г. Басова. — 2022. — С. 142-149
• 4 Николаев А., Рудь А.А., Азязов В.Н. и др. Квантово-химическое исследование механизмов химической реакции ацетальдегида с аммиаком в твердой фазе в космических условиях // V Всероссийская с международным участием школа-конференция студентов, аспирантов и молодых ученых «Материалы и технологии XXI века». — 2022. — С. 170

2021

• 1 Николаев А., Азязов В.Н., Мебель А.М. ИССЛЕДОВАНИЕ ПОВЕРХНОСТИ ПОТЕНЦИАЛЬНОЙ ЭНЕРГИИ РЕАКЦИИ 1-БУТИНА И МЕТИЛИДИНОВОГО РАДИКАЛА // Международная научно-техническая конференция «Проблемы и перспективы развития двигателестроения». — 2021. — Т. 2. — С. 249-250
• 2 Николаев А., Азязов В.Н., Мебель А.М. Изучение диаграмм поверхностей потенциальной энергии молекулярных систем C4H6+CH // XIX Всероссийский молодежный Самарский конкурс-конференция научных работ по оптике и лазерной физике. — 2021. — С. 76-82
• 3 Николаев А., Азязов В.Н., Мебель А.М. Квантово-механическое исследование механизмов химических реакций изомеров C4Н6 с метиновым радикалом // Молодежная конференция по теоретической и экспериментальной физике (МКТЭФ-2021). — 2021. — С. 66

2020

• 1 Николаев А., Азязов В.Н., Мебель А.М. Поверхность потенциальной энергии реакции метилидинового радикала с 1,2-бутадиеном // XVIII Всероссийский молодежный Самарский конкурс-конференция научных работ по оптике и лазерной физике. — 2020. — С. 313-319
• 2 Крикунова Л.И., Николаев А., Мебель А.М. Энергии и молекулярные параметры соединений, задействованных в реакциях винилацетилена и 1,3-бутадиена с радикалами Н, ОН и СН3 // XVIII Всероссийский молодежный Самарский конкурс-конференция научных работ по оптике и лазерной физике. — 2020. — С. 279-283

2019

• 1 Коротченко А.С., Башкиров Е.К., Мебель А.М. Механизмы образования изохинолина при взаимодействии винилацетилена с радикалом пиридина // I Конференция с международным участием «Физическая химия в России и за рубежом: от квантовой химии до эксперимента» . — 2019. — С. 61
• 2 Евсеев М.М., Башкиров Е.К., Мебель А.М. Механизмы образования фенантрена и антрацена при взаимодействии винилацетилена с нафталиновыми радикалами // I Конференция с международным участием «Физическая химия в России и за рубежом: от квантовой химии до эксперимента» . — 2019. — С. 60
• 3 Красноухов В.С., Порфирьев Д.П., Загидуллин М.В. и др. Изучение механизма реакции горения инденил и циклопентадиенил радикалов // XI Международная научно-техническая конференция "Процессы горения, теплообмена и экология тепловых двигателей". — 2019. — С. 78-81
• 4 Николаев А., Азязов В.Н., Мебель А.М. Энергии и молекулярные параметры соединений, задействованных в реакции СН + 1,3-бутадиен // XVII Всероссийский молодежный Самарский конкурс-конференция научных работ по оптике и лазерной физике. — 2019. — С. 331-338

2018

• 1 Miftyakhova D.R., Evseev M.M., Bashkirov E.K. etc. Formation mechanisms of benzo(c)phenanthrene and 4-vinylpyrene in the interaction of 4-phenanthryl and vinylacetylene // International Conference on Combustion Physics and Chemistry . — 2018. — P. 93
• 2 Korotchenko A.S., Evseev M.M., Bashkirov E.K. etc. Formation mechanisms of triphenylene and 4- vinylacephenanthrylene in the interaction of 9-phenanthryl and vinilacetylene // International Conference on Combustion Physics and Chemistry . — 2018. — P. 89
• 3 Evseev M.M., Bashkirov E.K., Azyazov V.N. etc. Formation mechanisms of phenanthrene and anthracene from naphthalene radicals // International Conference on Combustion Physics and Chemistry . — 2018. — P. 82
• 4 Lukas M., Tomas A.M., Kayzer R. etc. Products distribution in the reaction of atomic carbon with pyridine: theory and experiment // International Conference on Combustion Physics and Chemistry . — 2018. — P. 77
• 5 Savchenkova A.S., Semenikhin A.S., Chechet I.V. etc. Rate constants calculations of the CH2 + CH2CO reactions in triplet and singlet states by ab initio methods // nternational Conference on Combustion Physics and Chemistry . — 2018. — P. 102
• 6 Galimova G.R., Gildina A.R., Azyazov V.N. etc. Oxidation of five-member rings in combustion // International Conference on Combustion Physics and Chemistry. — 2018. — P. 27
• 7 Gildina A.R., Mebel A.M., Azyazov V.N. The rate constants calculations and the potential energy surface for indenyl C9H7 +O2 reaction by ab initio methods // International Conference on Combustion Physics and Chemistry. — 2018. — P. 85
• 8 Красноухов В.С., Мебель А.М., Порфирьев Д.П. и др. Реакция взаимодействия циклопентадиенил и инденил радикалов // XVI Всероссийский молодежный Самарский конкурс-конференция научных работ по оптике и лазерной физике. — 2018. — С. 117-123
• 9 Гильдина А.Р., Першин А.А., Мебель А.М. и др. Константы переходов для возбужденных состояний аргона в гелии // XVI Всероссийский молодежный Самарский конкурс-конференция научных работ по оптике и лазерной физике. — 2018. — С. 157-164
• 10 Galimova G.R., Azyazov V.N., Mebel A.M. Reaction mechanism for the oxidation of C15H9 with hydroxyl // International Conference on Combustion Physics and Chemistry. — 2018. — P. 84

2017

• 1 Толстов Г.И., Загидуллин М.В., Хватов Н.А. и др. Константы скорости убыли O2(b1Ʃg + ) в столкновениях с H2 // XV Всероссийский молодежный Самарский конкурс-конференция научных работ по оптике и лазерной физике. — 2017. — С. 392-397
• 2 Галимова Г.Р., Мебель А.М., Азязов В.Н. Окисление молекулы пирена C16H10 радикалом OH // XV Всероссийский молодежный Самарский конкурс-конференция научных работ по оптике и лазерной физике. — 2017. — С. 247-253
• 3 Галимова Г.Р., Мебель А.М., Азязов В.Н. Окисление молекулы пирена C16H10 гидроксилом ОН // X Международная научно-техническая конференция «Процессы горения, теплообмена и экология тепловых двигателей». — 2017. — С. 43-45

2016

• 1 Galimova G.R., Mebel A.M., Azyazov V.N. Oxidation of C16H10 by OH: quantum-chemical studies // 7th International Symposium on Nonequilibrium Processes, Plasma, Combustion, and Atmospheric Phenomena. — 2016. — Vol. 1. — P. 57-62
• 2 Толстов Г.И., Наумкин С.Н., Мебель А.М. и др. Каналы деградации активной среды лазеров на парах щелочных металлов с оптической накачкой // XIV Всероссийский молодежный Самарский конкурс-конференция научных работ по оптике и лазерной физике. — 2016. — С. 437-444
• 3 Gildina A.R., Oleynikov A.D., Mebel A.M. etc. Products of reaction C5H4O+H: quantum-chemical studies // 7th International Symposium on Nonequilibrium Processes, Plasma, Combustion and Atmospheric Phenomena. — 2016. — P. 247-253

1990

• 1 Мебель А.М., Korkin A.A. Comparative nonempirical study of the conjugation effects in iminophosphines and iminophosphoranes // Organometallic Chemistry in the USSR. — 1990. — Т. 3. — С. 1005-1011

1989

• 1 Мебель А.М., Yakobson V.V., Musaev D.G. и др. Theoretical study of Li+ affinity of the hydrides MHn, fluorides MFn, and lithides MLin molecules // Koord. Khim.. — 1989. — Т. 15. — С. 1478-1488