Rubén Meana-Pañeda
Rubén Meana-Pañeda
National Institutes of Heatlh (NIH) Staff Scientist
Verified email at nih.gov
Title
Cited by
Cited by
Year
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
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
982013
MLGAUSS-version 2.0
Y Zhao, R Meana-Panda, DG Truhlar
University of Minnesota: Minneapolis, 2005
742005
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
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
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
612013
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
442015
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
442014
Potential energy surface of triplet N2O2
Z Varga, R Meana-Pañeda, G Song, Y Paukku, DG Truhlar
The Journal of chemical physics 144 (2), 024310, 2016
432016
MSTor computer program, version 2011
J Zheng, SL Mielke, KL Clarkson, DG Truhlar
University of Minnesota, Minneapolis, MN, 2011
412011
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
362016
Mechanisms of double proton transfer. Theory and applications
Z Smedarchina, W Siebrand, A Fernandez-Ramos, R Meana-Paneda
Zeitschrift fur Physikalische Chemie 222 (8), 1291, 2008
292008
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
272013
POLYRATE, version 2016-2A
J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ...
University of Minnesota: Minneapolis, 2016
262016
ANT, version 2015
J Zheng, ZH Li, AW Jasper, DA Bonhommeau, R Valero, ...
University of Minnesota, Minneapolis, 2016
262016
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
262013
Army ants tunneling for classical simulations
J Zheng, X Xu, R Meana-Pañeda, DG Truhlar
Chemical Science 5 (5), 2091-2099, 2014
252014
Polyrate 17-C: Computer program for the calculation of chemical reaction rates for polyatomics
J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ...
242020
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
192014
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