| Symmetry numbers and chemical reaction rates A Fernández-Ramos, BA Ellingson, R Meana-Pañeda, JMC Marques, ... Theoretical Chemistry Accounts 118, 813-826, 2007 | 445 | 2007 |
| New pathways for formation of acids and carbonyl products in low-temperature oxidation: The Korcek decomposition of γ-ketohydroperoxides A Jalan, IM Alecu, R Meana-Pañeda, J Aguilera-Iparraguirre, KR Yang, ... Journal of the American Chemical Society 135 (30), 11100-11114, 2013 | 195 | 2013 |
| Polyrate-version 2017-C J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ... University of Minnesota, Minneapolis, MN, 2017 | 168 | 2017 |
| MSTor version 2013: a new version of the computer code for the multi-structural torsional anharmonicity, now with a coupled torsional potential. J Zheng, R Meana-Pañeda, DG Truhlar Comput. Phys. Commun. 184 (8), 2032-2033, 2013 | 126 | 2013 |
| Multi-path variational transition state theory for chiral molecules: the site-dependent kinetics for abstraction of hydrogen from 2-butanol by hydroperoxyl radical, analysis of … JL Bao, R Meana-Pañeda, DG Truhlar Chemical science 6 (10), 5866-5881, 2015 | 99 | 2015 |
| An ancient fingerprint indicates the common ancestry of Rossmann-fold enzymes utilizing different ribose-based cofactors P Laurino, Á Tóth-Petróczy, R Meana-Pañeda, W Lin, DG Truhlar, ... PLoS biology 14 (3), e1002396, 2016 | 98 | 2016 |
| Gaussrate 17 J Zheng, JL Bao, S Zhang, JC Corchado, R Meana-Pañeda, YY Chuang, ... University of Minnesota: Minneapolis, MN, 2017 | 92 | 2017 |
| High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic … R Meana-Pañeda, DG Truhlar, A Fernández-Ramos The Journal of chemical physics 134 (9), 2011 | 88 | 2011 |
| Prediction of experimentally unavailable product branching ratios for biofuel combustion: The role of anharmonicity in the reaction of isobutanol with OH J Zheng, R Meana-Pañeda, DG Truhlar Journal of the American Chemical Society 136 (13), 5150-5160, 2014 | 85 | 2014 |
| Least-action tunneling transmission coefficient for polyatomic reactions R Meana-Pañeda, DG Truhlar, A Fernández-Ramos Journal of chemical theory and computation 6 (1), 6-17, 2010 | 83 | 2010 |
| Potential energy surface of triplet N2O2 Z Varga, R Meana-Pañeda, G Song, Y Paukku, DG Truhlar The Journal of chemical physics 144 (2), 2016 | 60 | 2016 |
| Chloroform as a hydrogen atom donor in Barton reductive decarboxylation reactions J Ho, J Zheng, R Meana-Pañeda, DG Truhlar, EJ Ko, GP Savage, ... The Journal of Organic Chemistry 78 (13), 6677-6687, 2013 | 49 | 2013 |
| Mechanisms of double proton transfer. Theory and applications Z Smedarchina, W Siebrand, A Fernández-Ramos, R Meana-Paneda Zeitschrift für Physikalische Chemie 222 (8-9), 1291-1309, 2008 | 43 | 2008 |
| The structure of silica surfaces exposed to atomic oxygen P Norman, TE Schwartzentruber, H Leverentz, S Luo, R Meana-Pañeda, ... The Journal of Physical Chemistry C 117 (18), 9311-9321, 2013 | 37 | 2013 |
| Tunneling and conformational flexibility play critical roles in the isomerization mechanism of vitamin D R Meana-Pañeda, A Fernández-Ramos Journal of the American Chemical Society 134 (1), 346-354, 2012 | 37 | 2012 |
| Anharmonicity of coupled torsions: the extended two-dimensional torsion method and its use to assess more approximate methods L Simón-Carballido, JL Bao, TV Alves, R Meana-Pañeda, DG Truhlar, ... Journal of chemical theory and computation 13 (8), 3478-3492, 2017 | 35 | 2017 |
| Army ants tunneling for classical simulations J Zheng, X Xu, R Meana-Paneda, DG Truhlar Chemical Science 5 (5), 2091-2099, 2014 | 33 | 2014 |
| Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen Y Shu, J Kryven, AG Sampaio de Oliveira-Filho, L Zhang, GL Song, SL Li, ... The Journal of Chemical Physics 151 (10), 2019 | 29 | 2019 |
| Computational kinetics by variational transition-state theory with semiclassical multidimensional tunneling: Direct dynamics rate constants for the abstraction of H from CH3OH … R Meana-Pañeda, X Xu, H Ma, DG Truhlar The Journal of Physical Chemistry A 121 (8), 1693-1707, 2017 | 28 | 2017 |
| Including Tunneling in Non-Born–Oppenheimer Simulations J Zheng, R Meana-Pañeda, DG Truhlar The Journal of Physical Chemistry Letters 5 (11), 2039-2043, 2014 | 28 | 2014 |
Donald TruhlarUniversity of MinnesotaAdresă de e-mail confirmată pe umn.edu
