1978 - 1984 Высшее: ФГБОУ ВО "Московский авиационный институт (национальный исследовательский университет)"
2024
1Savchenkova A.S., Golenko A.M., Chechet I.V. etc. Interaction of pyridine radicals with molecular oxygen: Theoretical study // 3d International Conference on Physics and Chemistry of Combustion and Processes in Extreme Environments. — 2024. — P. 100
2Krikunova Lyubov Ivanovna, Kuznecova A.A., Porfirev D.P. etc. Theoretical study of the Reaction of Acetonitrile CH3CN (X1 ) with Methylidine Radical (CH X2П) in cold rarefied molecular clouds // Non-linear phenomena and dynamics of flame propagation: theoretical aspects and implementations. — 2024. — P. 36
3Golenko A.M., Savchenkova A.S., Chechet I.V. etc. Rate constants for the interaction of para-pyridyl with O2: Theoretical study // 3d International Conference on Physics and Chemistry of Combustion and Processes in Extreme Environments. — 2024. — P. 79
4Nikolaev A., Evseev M.M., Krasnoukhov V.S. etc. Functionalization of pyrimidine and purine to RNA bases in water/ammonia ices via radical substitution reactions // 3d International Conference on Physics and Chemistry of Combustion and Processes in Extreme Environments. — 2024. — P. 29
5Nikolaev A., Azyazov V.N., Mebel A.M.Gas-phase synthesis of phenylacetylene in the reaction of 1,3-butadiene with the butadiynyl radical // 3d International Conference on Physics and Chemistry of Combustion and Processes in Extreme Environments. — 2024. — P. 93
6Savchenkova 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.
1995
1Yu 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
2Musaev 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
3Mebel 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
4Mebel 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
5Mebel 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
6Mebel 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
7Lin 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
8Mebel 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
9Mebel 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
2001
1Mebel 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
2Zyubin 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
3Yeh 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
4Balucani 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.
5Shiu 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
6Baer 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
7Mebel 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
8Mebel 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
9Nguyen 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
10Hwang 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
11Nguyen 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
12Rozenbaum 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
13Mebel 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
14Shu 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
15Mebel 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
16Kaiser 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
17Kaiser 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
18Kaiser 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
19Glinka 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
20Mebel 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
21Le 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
22Hwang 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
23Lin 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
24Balucani 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
25Charkin 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
26Lam-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
27Hwang 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
28Nguyen 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
29Kaiser 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
30Trung 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
31Charkin O.P., Klimenko N.M., Moran D. etc. Theoretical study of icosahedral closo-borane, -alane, and -gallane dianions (A12H122-; 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
32Nguyen 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
33Balucani 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.
34Charkin O.P., Klimenko N.M., Moran D. etc. Ab initio Calculations of X@A12H2-12 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
35Zhu 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
2000
1Hwang 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
2Mebel 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
3Hwang 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
4Shieh 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
5Huang 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
6Hwang 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
7Hwang 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
8Hwang 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
9Mebel 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
10Hwang 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
11Hayashi 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
12Zyubin 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
13Hwang 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
14Hahndorf 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
15Nguyen 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
16Mebel 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
17Mebel 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
1999
1Mebel 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
2Richardson 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
3Liao 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
4Mebel 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
5Chang 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
6Pinnaduwage 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
7Mebel 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
8Ju 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
9Mebel 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
10Mebel 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
11Kaiser 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
12Hwang 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
1998
1Hayashi 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
2Von Schleyer P.R., Najafian K., Mebel A.M.The Large closo-Borane Dianions, BnHn2- (n = 13-17) Are Aromatic, Why Are They Unknown? // Inorganic Chemistry 1998. — Vol. 37. Issue 26. — P. 6765-6772
3Mebel 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
4Hwang 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
5Chang 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
6Mebel 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
7Mebel A.M., Von Ragué Schleyer P., Najafian K. etc. Structure and Nonrigidity of B9H92- and B9H10-. Comparisons of BnHn2- and BnHn+1- Systems // Inorganic Chemistry 1998. — Vol. 37. Issue 8. — P. 1693-1703
8Mebel 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
9Mebel 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
10Chang 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
1997
1Park 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
2Mebel 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
3Mebel 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
4Mebel A.M., Lin M.C. Reactions of NoXwith nitrogen hydrides // International Reviews in Physical Chemistry 1997. — Vol. 16. Issue 2. — P. 249-266
5Wang 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
6Jackson 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
7Hayashi 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
8Mebel 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
9Mebel 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
10Mebel 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
11Richardson 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
12Liao 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
13Mebel 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
14Hayashi 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
15Hsu 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
1996
1Mebel 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
2Mebel 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
3Mebel 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
4Mebel 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
5Mebel 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
6Madden 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
7Moskaleva 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
8Luna 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
9Halbgewachs 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
10Mebel 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
11Liu 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
12Mebel 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
13Hsu 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
1994
1Mebel 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
2Herges R., Mebel A.Propargylene // Journal of the American Chemical Society 1994. — Vol. 116. Issue 18. — P. 8229-8237
3Mebel 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
4Mebel 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
5Musaev 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
2003
1Nguyen 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
2Charkin 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
3Huang 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
4Zyubin 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
5Chin 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
6Sun 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
7Billing 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
8Liang 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
9Hwang 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
10Hwang 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
11Zyubin 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
12Lin 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
13Zyubin 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
14Englman 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
15Nguyen 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
16Kim 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
17Lee 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
18Kaiser 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
19Hwang 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
1993
1Mebel 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
2Mebel 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
3Mebel 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
4Mebel 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
5Mebel 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
1992
1Bühl M., Mebel A.M., Charkin O.P. etc. The Structure of B8H82- in Solution. Is B8H9- also Involved? An Ab Initio/IGLO/NMR Study // Inorganic Chemistry 1992. — Vol. 31. Issue 18. — P. 3769-3775
2Borisov 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
3SOLNTSEV 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
1MEBEL 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
3MEBEL 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
1990
1MEBEL 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
1MEBEL 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
2MEBEL 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
3MEBEL 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
4Mebel 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
5MEBEL 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
6MUSAEV 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
7MEBEL 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
1988
1KORKIN 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
2Mebel Aleksandr Moiseevich, Klimenko N.M., Charkin O.P. 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. — Vol. 29. № 3. — P. 12-21
3KORKIN 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
4Mebel 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
1987
1MEBEL 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
2002
1Ho 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
2Hwang 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
3Charkin 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 [A12H122-] (A = B, Al, and Ga) // Journal of Physical Chemistry A 2002. — Vol. 106. Issue 47. — P. 11594-11602
4Zyubin 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
5Hwang 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
6Baer 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
7Hwang 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
8Halász 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
9Wang 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
10Xia 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
11Zyubina 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
12Kaiser 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
13Zyubin 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
14Baer 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
15Hwang 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
16Mebel 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
17Hwang 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
18Schranz 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
19Baer 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
20Mebel 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
21Lee 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
22Liang 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
23Glinka 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
24Kaiser 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
25Kim 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
26Charkin 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
27Kislov 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
28Mebel 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
2004
1Charkin 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 12H122- // Russian Journal of Inorganic Chemistry 2004. — Vol. 49. Issue 10. — P. 1536-1546
2Charkin 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
3Tseng 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
4Trakhtenberg 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
5Charkin 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
6Charkin 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
7Hwang 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
8Kislov 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
9Charkin 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
10Bennett 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
11Zyubina 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
12Hwang 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
13Chin 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
14Vibók 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
15Zyubina 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
16Charkin 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
17Hwang 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
18Mebel 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
19Charkin 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
20Wang 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
21Charkin 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
22Charkin 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 Al12H122- // Zhurnal Neorganicheskoj Khimii 2004. — Vol. 49. Issue 10. — P. 1659-1669
23Charkin 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
2022
1Goettl 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
2Savchenkova 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.
3He 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
4Torbin 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.
5Kaiser 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.
6Nikolaev 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
7Zhou C.-W., Farooq A., Yang L. etc. Combustion chemistry of alkenes and alkadienes // Progress in Energy and Combustion Science 2022. — Vol. 90.
8Di 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.
9Kaiser 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
10Vinogradov 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
11Torbin 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.
12Galimova 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. —
13He 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
14Gurusinghe 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
2014
1Yang 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
2Dangi 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
3Joalland 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
4Parker 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
5Dangi 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
6Joalland B., Shi Y., Kamasah A. etc. Roaming dynamics in radical addition-elimination reactions // Nature Communications 2014. — Vol. 5.
7Dangi 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
8Kaiser 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
9Parker 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
10Ribeiro 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
11Yang 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
2021
1Gildina 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
2Porfiriev 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
3Zhao 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
4Zhao L., Lu W., Ahmed M. etc. Gas-phase synthesis of benzene via the propargyl radical self-reaction // Science Advances 2021. — Vol. 7. Issue 21.
5Doddipatla 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.
6Krasnoukhov 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
7He 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
8Zhao 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
9Alarcon 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. —
10Korobeinichev 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
11Savchenkova 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
12Semenikhin 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
13Yang 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
14Frenklach 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
15Pershin 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.
16Morozov 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
17He 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.
18Mishra 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
19Monluc L., Nikolaev A. , Medvedkov Ya. A. etc. The Reaction of o-Benzyne with Vinylacetylene: An Unexplored Way to Produce Naphthalene // CHEMPHYSCHEM 2021. —
20Yang 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
21Yang 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.
22Nikolaev 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
1Savchenkova 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
2Semenikhin 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
3Morozov 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
4Krasnoukhov 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
5He 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
6Mikheyev 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.
7Howlader A.H., Diaz K., Mebel A.M. etc. Iodoindenes: Synthesis and application to cross-coupling // Tetrahedron Letters 2020. — Vol. 61. Issue 43.
8Oleinikov 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
9Zhao 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
10Govor 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
11Yang 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
12Porfiriev 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
13He 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
14Doddipatla 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
15Zhao 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
16Govor 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
17Doddipatla 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
18Zhao 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
19Singh 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
20Pershin 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
21Savchenkova 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.
22Krasnoukhov V. S. , Porfiriev D.P., Zagidullin M.V. etc. The study of indenyl + cyclopentadienyl reaction // AIP Conference Proceedings. — 2020. — Vol. 2304.
23Savchenkova 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.
24Gildina 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.
25Nikolaev 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.
26Medvedkov 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.
27Zhao 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
28Yang Z., He C., Doddipatla S. etc. Gas Phase Formation of Methylgermylene (HGeCH3) // CHEMPHYSCHEM 2020. — Vol. 21. Issue 17. — P. 1898-1904
29Frenklach M., Mebel A.M.On the mechanism of soot nucleation // Physical Chemistry Chemical Physics 2020. — Vol. 22. Issue 9. — P. 5314-5331
30Tuli 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
31He 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
32Singh 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
2019
1Gildina 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
2He 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
3Zhao L., Kaiser R.I., Xu B. etc. Gas phase synthesis of [4]-helicene // Nature Communications 2019. — Vol. 10. Issue 1.
4Zhao 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
5Thomas 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.
6Thomas 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
7Savchenkova 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
8Frenklach 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
9Galimova 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
10Kandel 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
11Zhao L., Xu B., Ablikim U. etc. Gas-Phase Synthesis of Triphenylene (C 18 H 12 ) // CHEMPHYSCHEM 2019. — Vol. 20. Issue 6. — P. 791-797
12Deriu 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
13Wang 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
14Gildina 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
15He 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
16Zhao 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.
17He 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
18Khvatov 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
19Pershin 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.
20Thomas 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
21Morozov 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
22He 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
23Zhao 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
24Zagidullin 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.
25Thomas 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
2018
1Oleinikov 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
2Zagidullin 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
3Miftyakhova 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
4Korotchenko 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
5Zagidullin 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
6Evseev 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
7Lukas 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
8Gildina 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
9Zhao 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
10Morozov 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
11Belisario-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
12Tolstov 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
13Morozov 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
14Semenikhin 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
15Gildina 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
16Gildina 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
17Zhao 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
18Cui 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
19Tolstov 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.
20Pershin 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
21Galimova 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
22Savchenkova 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
23Zhao 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
24Zagidullin 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
25Yang 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.
26Torbin 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
27Bashkirov 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
28Galimova 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
29Artem O., Mebel A., Azyazov V.The reaction of 2-naphthyl with 1,3-butadiene: A theoretical study // MATEC Web of Conferences. — 2018. — Vol. 209.
30Galimova 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
31Lucas 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
32Torbin 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
33Thomas 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
34Torbin A., Pershin A., Zagidullin M. etc. Ozone recovery in the presence of CO and N2O // MATEC Web of Conferences. — 2018. — Vol. 209.
35Galimova 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.
36Lucas 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
37Yang M., Sun Y., Zhang X. etc. Raman spectra of thiolated arsenicals with biological importance // Talanta 2018. — Vol. 179. — P. 520-530
38Frenklach 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
39Torbin 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.
40Thomas 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
41Gildina 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
2017
1Mebel 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
2Cui 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
3Zhao 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
4Yang 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
5Mebel 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
6Zagidullin 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
7Zhao 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
8Thomas 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
9Lucas 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
10Krasnoukhov 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
11Lockhart 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.
12Azyazov 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
13Zhao 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
14Semenikhin 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
15Ribeiro 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
16Gildina 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
17Jonah 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
2016
1Yang T., Troy T.P., Xu B. etc. Hydrogen-Abstraction/Acetylene-Addition Exposed // Angewandte Chemie - International Edition 2016. — Vol. 55. Issue 48. — P. 14983-14987
2Azyazov 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.
3Mebel 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
4Benigni 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
5Gildina 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
6Galimova 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
7Pershin 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
8Azyazov 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
9Thomas 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
10Förstel 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.
11Tolstov 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
12Förstel 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
13Ribeiro 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
2015
1Yang 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
2Muzangwa 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
3Kislov 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
4Parker 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
5Singh 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
6Ribeiro 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
7Kaiser 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
8Parker 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.
9Mebel 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
10Zagidullin 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.
11Yang 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
2013
1Golan 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
2Kislov 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
3Wang 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
4Parker 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
5Landera 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
6Jamal 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
7Trakhtenberg 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
8Dangi 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
9Dangi 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
10Parker 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
2005
1Jamieson 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
2Charkin 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
3Zyubina 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.
4Budyka 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
5Shieh 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
6Trakhtenberg 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.
7Tokmakov 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
8Wang 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
9Zyubin 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.
10Zyubin 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
11Hayes 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
12Charkin 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
13Kislov 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
14Lin M.-F., Dyakov Y.A., Tseng C.-M. etc. Photodissociation dynamics of pyridine // The Journal of chemical physics 2005. — Vol. 123. Issue 5.
15Charkin 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 (D5h) cage // Russian Journal of Inorganic Chemistry 2005. — Vol. 50. Issue 12. — P. 1903-1911
16Dyakov 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
17Mebel 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
18Jamieson 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
19Mebel 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
20Charkin 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
2012
1Parker 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
2Parker 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
3Zhou 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
4Kaiser 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
5Holness 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
6Kaiser 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.
7Dang 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
8Parker 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
9Mebel 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.
10Landera 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.
11Kislov 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
12Kaiser 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
13Parker 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
2011
1Jones 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
2Parker 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
3Morales 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.
4Jamal 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
5Kaiser 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
6Jamal 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
7Wnuk 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
8Sivaraman 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
9Zhang 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.
10Parker 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
11Zhang 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
12Landera 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. —
13Landera 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.
2010
1Kaiser 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
2Landera 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
3Kislov 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
4Jones 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
5Trakhtenberg 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
6Sebree 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
7Gichuhi 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
8Landrum 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
9Zhang 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
10Kaiser 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
11Sebree 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
12Jamal 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
13Huang 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
14Christiansen 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
15Zhou 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
16Kaiser 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
17Zhang 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
2009
1Gu 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
2Zyubin 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
3Wang 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
4Mebel 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
5Yao 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
6Zhang 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.
7Krishtal 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
8Silva 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
9Gu 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
10Gu 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
11Zhou 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
12Trakhtenberg 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.
13Yao 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
14Zhang 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
15Kaiser 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
16Zhang 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
17Zyubin 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
1Jamieson 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
2Kaiser 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
3Silva 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
4Kislov 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
5Landera 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
6Zyubin 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
7Landera 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.
8Mebel A.M., Bandrauk A.D. Theoretical study of unimolecular decomposition of allene cations // The Journal of chemical physics 2008. — Vol. 129. Issue 22.
9Mebel 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
10Wang 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.
11Zyubina 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
2007
1Gu 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
2Jamieson 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
3Mebel 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.
4Mebel 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
5Guo 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
6Gu 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
7Joshi 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
8Dyakov 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
9Lin 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.
10Yao 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
11Gu 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
12Zyubina 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
13Zyubin 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
14Longenecker 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
15Chin 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
16Kislov 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
17Gu 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
18Jamieson 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
19Sharifti 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
20Kislov 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
21Zyubin 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
22Guo 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
23Xu 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
2006
1Gu 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
2Mebel 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.
3Cheng 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
4Charkin 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
5Zyubina 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
6Dyakov 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
7Mebel 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
8Guo 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
9Guo 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
10Lin M.-F., Dyakov Y.A., Tseng C.-M. etc. Photodissociation dynamics of pyrimidine // The Journal of chemical physics 2006. — Vol. 124. Issue 8.
11Gu 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
12Guo 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
13Zyubin 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
14Jamieson 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
15Charkin 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.
16Jamieson 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
17Jamieson 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
18Dyakov 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
19Zyubin 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.
20Wang 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.
1967
1Mebel 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
Awards
2002 г. - Academia Sinica Research Award for Junior Researches
2003 г. - IAMS Outstanding Publication Award
2016 г.- Florida International University CASE Research Award
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