| Modification of the gaussian−2 theoretical model: The use of coupled‐cluster energies, density‐functional geometries, and frequencies AM Mebel, K Morokuma, MC Lin The Journal of chemical physics 103 (17), 7414-7421, 1995 | 556 | 1995 |
| Low temperature formation of naphthalene and its role in the synthesis of PAHs (polycyclic aromatic hydrocarbons) in the interstellar medium DSN Parker, F Zhang, YS Kim, RI Kaiser, A Landera, VV Kislov, AM Mebel, ... Proceedings of the National Academy of Sciences 109 (1), 53-58, 2012 | 232 | 2012 |
| Formation mechanism of polycyclic aromatic hydrocarbons beyond the second aromatic ring VV Kislov, AI Sadovnikov, AM Mebel The Journal of Physical Chemistry A 117 (23), 4794-4816, 2013 | 202 | 2013 |
| Ab Initio and RRKM Calculations for Multichannel Rate Constants of the C2H3 + O2 Reaction AM Mebel, EWG Diau, MC Lin, K Morokuma Journal of the American Chemical Society 118 (40), 9759-9771, 1996 | 200 | 1996 |
| Hydrogen abstraction acetylene addition and Diels− Alder mechanisms of PAH formation: a detailed study using first principles calculations VV Kislov, NI Islamova, AM Kolker, SH Lin, AM Mebel Journal of chemical theory and computation 1 (5), 908-924, 2005 | 190 | 2005 |
| On the mechanism of soot nucleation M Frenklach, AM Mebel Physical Chemistry Chemical Physics 22 (9), 5314-5331, 2020 | 188 | 2020 |
| Ab initio calculations of vibronic spectra and dynamics for small polyatomic molecules: Role of Duschinsky effect AM Mebel, M Hayashi, KK Liang, SH Lin The Journal of Physical Chemistry A 103 (50), 10674-10690, 1999 | 179 | 1999 |
| Untangling the formation of the cyclic carbon trioxide isomer in low temperature carbon dioxide ices CJ Bennett, C Jamieson, AM Mebel, RI Kaiser Physical Chemistry Chemical Physics 6 (4), 735-746, 2004 | 172 | 2004 |
| The Large closo-Borane Dianions, BnHn2- (n = 13−17) Are Aromatic, Why Are They Unknown? PR Schleyer, K Najafian, AM Mebel Inorganic chemistry 37 (26), 6765-6772, 1998 | 172 | 1998 |
| Formation mechanisms of naphthalene and indene: From the interstellar medium to combustion flames AM Mebel, A Landera, RI Kaiser The Journal of Physical Chemistry A 121 (5), 901-926, 2017 | 169 | 2017 |
| 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 AM Mebel, WM Jackson, AHH Chang, SH Lin Journal of the American Chemical Society 120 (23), 5751-5763, 1998 | 169 | 1998 |
| The reaction of phenyl radical with molecular oxygen: A G2M study of the potential energy surface IV Tokmakov, GS Kim, VV Kislov, AM Mebel, MC Lin The Journal of Physical Chemistry A 109 (27), 6114-6127, 2005 | 166 | 2005 |
| Formation of benzene in the interstellar medium BM Jones, F Zhang, RI Kaiser, A Jamal, AM Mebel, MA Cordiner, ... Proceedings of the National Academy of Sciences 108 (2), 452-457, 2011 | 154 | 2011 |
| Photodissociation of benzene under collision-free conditions: An ab initio/Rice–Ramsperger–Kassel–Marcus study VV Kislov, TL Nguyen, AM Mebel, SH Lin, SC Smith The Journal of chemical physics 120 (15), 7008-7017, 2004 | 153 | 2004 |
| Understanding the kinetics and dynamics of radiation-induced reaction pathways in carbon monoxide ice at 10 K CS Jamieson, AM Mebel, RI Kaiser The Astrophysical Journal Supplement Series 163 (1), 184, 2006 | 150 | 2006 |
| Theoretical Study of Potential Energy Surface and Thermal Rate Constants for the C6H5 + H2 and C6H6 + H Reactions AM Mebel, MC Lin, T Yu, K Morokuma The Journal of Physical Chemistry A 101 (17), 3189-3196, 1997 | 142 | 1997 |
| Theoretical study of the gas-phase structure, thermochemistry, and decomposition mechanisms of NH4NO2 and NH4N (NO2) 2 AM Mebel, MC Lin, K Morokuma, CF Melius The Journal of Physical Chemistry 99 (18), 6842-6848, 1995 | 140 | 1995 |
| Temperature-and pressure-dependent rate coefficients for the HACA pathways from benzene to naphthalene AM Mebel, Y Georgievskii, AW Jasper, SJ Klippenstein Proceedings of the Combustion Institute 36 (1), 919-926, 2017 | 138 | 2017 |
| Ab Initio Study of the Mechanism for the Thermal Decomposition of the Phenoxy Radical R Liu, K Morokuma, AM Mebel, MC Lin The Journal of Physical Chemistry 100 (22), 9314-9322, 1996 | 134 | 1996 |
| An ab initio molecular orbital study of the mechanism of the rhodium (I)-catalyzed olefin hydroboration reaction DG Musaev, AM Mebel, K Morokuma Journal of the American Chemical Society 116 (23), 10693-10702, 1994 | 131 | 1994 |
