Modeling the kinetics of bimolecular reactions A Fernández-Ramos, JA Miller, SJ Klippenstein, DG Truhlar Chemical reviews 106 (11), 4518-4584, 2006 | 709 | 2006 |
Symmetry numbers and chemical reaction rates A Fernández-Ramos, BA Ellingson, R Meana-Pañeda, JMC Marques, ... Theoretical Chemistry Accounts 118, 813-826, 2007 | 423 | 2007 |
POLYRATE, version 9.7 JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ... University of Minnesota, Minneapolis, 2007 | 338 | 2007 |
Variational transition state theory with multidimensional tunneling A Fernandez-Ramos, BA Ellingson, BC Garrett, DG Truhlar Reviews in computational chemistry 23, 125, 2007 | 317 | 2007 |
POLYRATE-version 2008 J Zheng http://comp. chem. umn. edu/polyrate/, 2008 | 274 | 2008 |
Improved algorithm for corner-cutting tunneling calculations A Fernandez-Ramos, DG Truhlar The Journal of Chemical Physics 114 (4), 1491-1496, 2001 | 181 | 2001 |
Polyrate-version 2017-C J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ... University of Minnesota, Minneapolis, MN, 2017 | 154 | 2017 |
Proton tunnelling in polyatomic molecules: A direct-dynamics instanton approach W Siebrand, Z Smedarchina, MZ Zgierski, A Fernandez-Ramos International Reviews in Physical Chemistry 18 (1), 5-41, 1999 | 121 | 1999 |
Kinetics of the methanol reaction with OH at interstellar, atmospheric, and combustion temperatures LG Gao, J Zheng, A Fernández-Ramos, DG Truhlar, X Xu Journal of the American Chemical Society 140 (8), 2906-2918, 2018 | 120 | 2018 |
Kinetic isotope effects for concerted multiple proton transfer: a direct dynamics study of an active-site model of carbonic anhydrase II Z Smedarchina, W Siebrand, A Fernández-Ramos, Q Cui Journal of the American Chemical Society 125 (1), 243-251, 2003 | 116 | 2003 |
A direct-dynamics study of the zwitterion-to-neutral interconversion of glycine in aqueous solution A Fernández-Ramos, Z Smedarchina, W Siebrand, MZ Zgierski The Journal of Chemical Physics 113 (21), 9714-9721, 2000 | 104 | 2000 |
A direct-dynamics study of proton transfer through water bridges in guanine and 7-azaindole Z Smedarchina, W Siebrand, A Fernández-Ramos, L Gorb, J Leszczynski The Journal of Chemical Physics 112 (2), 566-573, 2000 | 99 | 2000 |
Tunneling dynamics of double proton transfer in formic acid and benzoic acid dimers Z Smedarchina, A Fernandez-Ramos, W Siebrand The Journal of chemical physics 122 (13), 2005 | 87 | 2005 |
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 | 84 | 2011 |
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 | 82 | 2010 |
DFT conformational study of cysteine in gas phase and aqueous solution A Fernandez-Ramos, E Cabaleiro-Lago, JM Hermida-Ramon, ... Journal of Molecular Structure: THEOCHEM 498 (1-3), 191-200, 2000 | 76 | 2000 |
Polyrate 2010-a J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ... University of Minnesota, Minneapolis, MN, 2010 | 59 | 2010 |
A quantum‐dynamics study of the prototropic tautomerism of guanine and its contribution to spontaneous point mutations in Escherichia coli L Gorb, Y Podolyan, J Leszczynski, W Siebrand, A Fernández‐Ramos, ... Biopolymers: Original Research on Biomolecules 61 (1), 77-83, 2001 | 59 | 2001 |
Intermolecular interactions and cooperative effects in acetonitrile clusters. An ab initio molecular orbital study EM Cabaleiro-Lago, JM Hermida-Ramón, A Pena-Gallego, ... Journal of Molecular Structure: THEOCHEM 498 (1-3), 21-28, 2000 | 59 | 2000 |
Quasiclassical trajectory study of the F+ CH4 reaction dynamics on a dual-level interpolated potential energy surface JF Castillo, FJ Aoiz, L Banares, E Martinez-Nunez, A Fernandez-Ramos, ... The Journal of Physical Chemistry A 109 (38), 8459-8470, 2005 | 58 | 2005 |