Antonio Fernandez-Ramos
Antonio Fernandez-Ramos
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Title
Cited by
Cited by
Year
Modeling the kinetics of bimolecular reactions
A Fernández-Ramos, JA Miller, SJ Klippenstein, DG Truhlar
Chemical reviews 106 (11), 4518-4584, 2006
5102006
POLYRATE, version 9.7
JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis, 2007
3032007
Variational transition state theory with multidimensional tunneling
A Fernandez-Ramos, BA Ellingson, BC Garrett, DG Truhlar
Reviews in computational chemistry 23, 125, 2007
2282007
Symmetry numbers and chemical reaction rates
A Fernández-Ramos, BA Ellingson, R Meana-Pañeda, JMC Marques, ...
Theoretical Chemistry Accounts 118 (4), 813-826, 2007
2202007
POLYRATE-version 2008
J Zheng
http://comp. chem. umn. edu/polyrate/, 2008
1792008
Improved algorithm for corner-cutting tunneling calculations
A Fernandez-Ramos, DG Truhlar
The Journal of Chemical Physics 114 (4), 1491-1496, 2001
1632001
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
1131999
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
1122003
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
1002000
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
822005
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
672011
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
662000
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, 2010
632010
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
522001
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
512005
Intermolecular interactions and cooperative effects in acetonitrile clusters. An ab initio molecular orbital study
EM Cabaleiro-Lago, JM Hermida-Ramon, A Pena-Gallego, ...
Journal of Molecular Structure: THEOCHEM 498 (1-3), 21-28, 2000
512000
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
Correlated double-proton transfer. I. Theory
Z Smedarchina, W Siebrand, A Fernández-Ramos
The Journal of chemical physics 127 (17), 174513, 2007
462007
The tautomerization dynamics of porphycene and its isotopomers–Concerted versus stepwise mechanisms
Z Smedarchina, MF Shibl, O Kühn, A Fernández-Ramos
Chemical physics letters 436 (4-6), 314-321, 2007
462007
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Articles 1–20