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Publications

2014

Tunneling splitting in double-proton transfer: Direct diagonalization results for porphycene
Z. Smedarchina, W. Siebrand, A. Fernández Ramos

Multidimensional Hamiltonian for tunneling with position-dependent mass
A. Fernández Ramos, Z. Smedarchina, W. Siebrand

Unraveling the Factors That Control Soft Landing of Small Silyl Ions on Fluorinated Self-Assembled Monolayers
J.J. Nogueira, Y. Wang, F. Martín, M. Alcami, D. Glowacki, D.V. Shalashilin, E. Paci, A. Fernández Ramos, W.L. Hase, E. Martínez Núñez, S.A. Vázquez

Calculation of the two-dimensional non-separable partition function for two molecular systems
L. Simón Carballido,; A. Fernández Ramos

Accounting for conformational flexibility and torsional anharmonicity in the H + CH3CH2OH hydrogen abstraction reactions: A multi-path variational transition state theory study
R. Meana Pañeda, A. Fernández Ramos

Theoretical Kinetics Study of the F(2P) + NH3 Hydrogen Abstraction Reaction
J. Espinosa García, A. Fernández Ramos, Y.V. Sulemanov, J.C. Corbacho

2013

Zero-Point Tunneling Splittings in Compounds with Multiple Hydrogen Bonds Calculated by the Rainbow Instanton Method
Z. Smedarchina; W. Siebrand; A. Fernández Ramos

New interpretation of proton and deuteron tunneling in 2′-methylacetophenone
A. Fernández Ramos, W. Siebrand, Z. Smedarchina

Accurate treatment of two-dimensional non-separable hindered internal rotors
A. Fernández-Ramos

Communication: Selection rules for tunneling splitting of vibrationally excited levels
W. Siebrand; Z. Smedarchina; A. Fernández-Ramos