Rubén Meana-Pañeda
Rubén Meana-Pañeda
National Institutes of Heatlh (NIH) Staff Scientist
Verified email at
Cited by
Cited by
Symmetry numbers and chemical reaction rates
A Fernández-Ramos, BA Ellingson, R Meana-Pañeda, JMC Marques, ...
Theoretical Chemistry Accounts 118, 813-826, 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
Polyrate-version 2017-C
J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ...
University of Minnesota, Minneapolis, 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
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
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
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
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
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
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
Gaussrate 17
J Zheng, JL Bao, S Zhang, JC Corchado, R Meana-Pañeda, YY Chuang, ...
University of Minnesota, Minneapolis, MN, 2017
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
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
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
Army ants tunneling for classical simulations
J Zheng, X Xu, R Meana-Paneda, DG Truhlar
Chemical Science 5 (5), 2091-2099, 2014
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
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
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
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
Atomic oxygen recombination at surface defects on reconstructed (0001) α-quartz exposed to atomic and molecular oxygen
R Meana-Paneda, Y Paukku, K Duanmu, P Norman, TE Schwartzentruber, ...
The Journal of Physical Chemistry C 119 (17), 9287-9301, 2015
The system can't perform the operation now. Try again later.
Articles 1–20