Antonio Fernandez-Ramos
Antonio Fernandez-Ramos
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TitleCited byYear
Modeling the kinetics of bimolecular reactions
A Fernández-Ramos, JA Miller, SJ Klippenstein, DG Truhlar
Chemical reviews 106 (11), 4518-4584, 2006
4662006
POLYRATE, version 9.7
JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis, 2007
2762007
Variational transition state theory with multidimensional tunneling
A Fernandez-Ramos, BA Ellingson, BC Garrett, DG Truhlar
Reviews in computational chemistry 23, 125, 2007
2122007
Symmetry numbers and chemical reaction rates
A Fernández-Ramos, BA Ellingson, R Meana-Pañeda, JMC Marques, ...
Theoretical Chemistry Accounts 118 (4), 813-826, 2007
1842007
POLYRATE-version 2008
J Zheng
http://comp. chem. umn. edu/polyrate/, 2008
1642008
Improved algorithm for corner-cutting tunneling calculations
A Fernandez-Ramos, DG Truhlar
The Journal of Chemical Physics 114 (4), 1491-1496, 2001
1552001
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
1111999
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
1102003
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
982000
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
962000
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), 134309, 2005
802005
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
642000
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), 094302, 2011
622011
Least-action tunneling transmission coefficient for polyatomic reactions
R Meana-Paneda, DG Truhlar, A Fernández-Ramos
Journal of chemical theory and computation 6 (1), 6-17, 2009
582009
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
502005
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
502000
DOIT: a program to calculate thermal rate constants and mode‐specific tunneling splittings directly from quantum‐chemical calculations
Z Smedarchina, A Fernández‐Ramos, W Siebrand
Journal of Computational Chemistry 22 (7), 787-801, 2001
482001
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
482001
POLYRATE, version 8.5. 1
JC Corchado, YY Chuang, PL Fast, J Villa, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis 74, 2000
462000
Trajectory Dynamics Study of the Ar + CH4 Dissociation Reaction at High Temperatures:  the Importance of Zero-Point-Energy Effects
JMC Marques, E Martinez-Nuñez, A Fernandez-Ramos, SA Vázquez
The Journal of Physical Chemistry A 109 (24), 5415-5423, 2005
432005
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Articles 1–20