Antonio Fernandez-Ramos

All papers authored by Antonio Fernandez-Ramos

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2018 W. Siebrand, Z. Smedarchina, D. Ferro-Costas, E. Martínez-Núñez

, A. Fernández-Ramos

Reply to the ‘Comment on “Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature”’ by D. Heard, R. Shannon, J. Gomez Martin, R. Caravan, M. Blitz, J. Plane, M. Antiñolo, M. Agundez, E. Jimenez, B. Ballesteros, A. Canosa, G. El Dib, J. Albaladejo and J. Cernicharo, Phys. Chem. Chem. Phys., 2018, 20, DOI: 10.1039/C7CP04561A

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2016 H. Bahri, M. Bahri, A. Fernandez-Ramos

Ab initio investigation of the H2O2+F elementary reaction

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Willem Siebrand, Zorka Smedarchina, Emilio Martínez-Núñez, Antonio Fernández-Ramos

Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature

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Tiago Vinicius Alves

, Luis Simon-Carballido, Fernando Rei Ornellas, Antonio Fernandez-Ramos

Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives

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2015 Luis Simón-Carballido, Tiago Vinicius Alves

, Agnieszka Dybala-Defratyka, Antonio Fernández-Ramos

Kinetic Isotope Effects in Multipath VTST: Application to a Hydrogen Abstraction Reaction

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2014 Zorka Smedarchina, Willem Siebrand, Antonio Fernández-Ramos

Tunneling splitting in double-proton transfer: Direct diagonalization results for porphycene

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Antonio Fernández-Ramos

, Zorka Smedarchina, Willem Siebrand

Multidimensional Hamiltonian for tunneling with position-dependent mass

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Rubén Meana-Pañeda, Antonio Fernández-Ramos

Accounting for conformational flexibility and torsional anharmonicity in the H + CH3CH2OH hydrogen abstraction reactions: A multi-path variational transition state theory study

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Juan José Nogueira, Yang Wang, Fernando Martin

, Manuel Alcami, David R. Glowacki, Dmitrii V. Shalashilin, Emanuele Paci, Antonio Fernandez-Ramos

, William L. Hase, Emilio Martinez-Nuñez, Saulo A. Vazquez

Unraveling the Factors That Control Soft Landing of Small Silyl Ions on Fluorinated Self-Assembled Monolayers

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Luis Simón-Carballido, Antonio Fernández-Ramos

Calculation of the two-dimensional non-separable partition function for two molecular systems

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2013 Zorka Smedarchina, Willem Siebrand, Antonio Fernández-Ramos

Zero-point tunneling splittings in compounds with multiple hydrogen bonds calculated by the rainbow instanton method

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Antonio Fernández-Ramos

, Willem Siebrand, Zorka Smedarchina

New interpretation of proton and deuteron tunneling in 2′- methylacetophenone

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Antonio Fernández-Ramos

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

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Antonio Fernández-Ramos

Accurate treatment of two-dimensional non-separable hindered internal rotors

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Willem Siebrand, Zorka Smedarchina, Antonio Fernández-Ramos

Communication: selection rules for tunneling splitting of vibrationally excited levels

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2012 Zorka Smedarchina, Willem Siebrand, Antonio Fernández-Ramos

The rainbow instanton method: A new approach to tunneling splitting in polyatomics

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Rubén Meana-Pañeda, Antonio Fernández-Ramos

Correction to Tunneling and Conformational Flexibility Play Critical Roles in the Isomerization Mechanism of Vitamin D.

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2011 Rubén Meana-Pañeda, Antonio Fernández-Ramos

Tunneling and Conformational Flexibility Play Critical Roles in the Isomerization Mechanism of Vitamin D

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S. Hosein Mousavipour, Antonio Fernández-Ramos

, Rubén Meana-Pañeda, Emilio Martínez-Nuñez, Saulo A. Vázquez, Miguel A. Ríos

Correction to “Direct-Dynamics VTST Study of the [1,7] Hydrogen Shift in 7-Methylocta-1,3-(Z),5(Z)-triene. A Model System for the Hydrogen Transfer Reaction in Previtamin D3”

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Rubén Meana-Pañeda, Donald G. Truhlar

, Antonio Fernández-Ramos

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

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All papers authored by Antonio Fernandez-Ramos