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Publications

2013

Correct Interpretation of How Tunneling Proceeds at Low Temperatures in the Proton Transfer Reactions Involving Thiotropolone: A Comment
A. Fernández Ramos

2012

Tunneling and Conformational Flexibility Play Critical Roles in the Isomerization Mechanism of Vitamin D
R. Meana-Pañeda y A. Fernández Ramos

The rainbow instanton method: A new approach to tunneling splitting in polyatomics
Z. Smedarchina, W. Siebrand, A. Fernández-Ramos

2011

High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic isotope effects of the hydrogen abstraction reactions from methanol by atomic hydrogen
Meana-Pañeda, D. G. Truhlar, A. Fernández-Ramos

2010

Least-action tunneling transmission coefficient for polyatomic reactions
R. Meana-Pañeda, D. G. Truhlar, A. Fernández-Ramos

Direct Dynamics Implementation of the Least-Action Tunneling Transmission Coefficient. Application to the  CH4/CDH3/CD4+ CF3 Abstraction Reactions
R. Meana-Pañeda, D. G. Truhlar, A. Fernández-Ramos