Assessing the importance of proton transfer reactions in DNA D Jacquemin, J Zuniga, A Requena, JP Céron-Carrasco
Accounts of chemical research 47 (8), 2467-2474, 2014
86 2014 Intermolecular proton transfer in microhydrated guanine− cytosine base pairs: A new mechanism for spontaneous mutation in DNA JP Cerón-Carrasco, A Requena, J Zúñiga, C Michaux, EA Perpète, ...
The Journal of Physical Chemistry A 113 (39), 10549-10556, 2009
83 2009 Effects of hydration on the proton transfer mechanism in the Adenine− Thymine base pair JP Cerón-Carrasco, A Requena, C Michaux, EA Perpète, D Jacquemin
The Journal of Physical Chemistry A 113 (27), 7892-7898, 2009
76 2009 Combined effect of stacking and solvation on the spontaneous mutation in DNA JP Ceron-Carrasco, J Zuniga, A Requena, EA Perpete, C Michaux, ...
Physical Chemistry Chemical Physics 13 (32), 14584-14589, 2011
63 2011 Harmonic models in cartesian and internal coordinates to simulate the absorption spectra of carotenoids at finite temperatures J Cerezo, J Zuniga, A Requena, FJ Avila Ferrer, F Santoro
Journal of Chemical Theory and Computation 9 (11), 4947-4958, 2013
58 2013 The wavefunction of the complex coordinate method O Atabek, R Lefebvre, A Requena
Molecular Physics 40 (5), 1107-1115, 1980
54 1980 The Ehrenfest method with quantum corrections to simulate the relaxation of molecules in solution: Equilibrium and dynamics A Bastida, C Cruz, J Zúñiga, A Requena, B Miguel
The Journal of chemical physics 126 (1), 014503, 2007
51 2007 A modified Ehrenfest method that achieves Boltzmann quantum state populations A Bastida, C Cruz, J Zúñiga, A Requena, B Miguel
Chemical physics letters 417 (1-3), 53-57, 2006
49 2006 Dinamica de sistemas v. 2: modelos S Martínez, Libro de Bolsillo n Seccion Ciencia y Tecnica, A Requena
Alianza, 1986
48 1986 Rotational predissociation of triatomic van der Waals molecules JA Beswick, A Requena
The Journal of Chemical Physics 72 (5), 3018-3026, 1980
47 1980 Si-bearing molecules toward IRC+ 10216: ALMA unveils the molecular envelope of CWLeo LV Prieto, J Cernicharo, G Quintana-Lacaci, M Agúndez, A Castro-Carrizo, ...
The Astrophysical journal letters 805 (2), L13, 2015
45 2015 Vibrational predissociation of the A Bastida, J Zúñiga, A Requena, N Halberstadt, JA Beswick
The Journal of chemical physics 109 (15), 6320-6328, 1998
44 1998 A density functional theory study of the structure and vibrational spectra of β-carotene, capsanthin, and capsorubin A Requena, JP Ceron-Carrasco, A Bastida, J Zuniga, B Miguel
The Journal of Physical Chemistry A 112 (21), 4815-4825, 2008
40 2008 Optimal generalized internal vibrational coordinates and potential energy surface for the ground electronic state of J Zúñiga, A Bastida, A Requena
The Journal of chemical physics 115 (1), 139-148, 2001
38 2001 Instantaneous normal modes, resonances, and decay channels in the vibrational relaxation of the amide I mode of A Bastida, MA Soler, J Zúñiga, A Requena, A Kalstein, ...
The Journal of chemical physics 132 (22), 224501, 2010
37 2010 Competition between electronic and vibrational predissociation in Ar–I2 (B): a molecular dynamics with quantum transitions study A Bastida, J Zuniga, A Requena, N Halberstadt, JA Beswick
Chemical physics 240 (1-2), 229-239, 1999
37 1999 Theoretical study of the low-lying excited states of β-carotene isomers by a multireference configuration interaction method JP Cerón-Carrasco, A Requena, CM Marian
Chemical Physics 373 (1-2), 98-103, 2010
35 2010 Aerosol LiDAR intercomparison in the framework of SPALINET—The Spanish LiDAR network: Methodology and results M Sicard, F Molero, JL Guerrero-Rascado, R Pedrós, FJ Expósito, ...
IEEE transactions on geoscience and remote sensing 47 (10), 3547-3559, 2009
35 2009 Double proton transfer mechanism in the adenine–uracil base pair and spontaneous mutation in RNA duplex JP Cerón-Carrasco, A Requena, EA Perpète, C Michaux, D Jacquemin
Chemical Physics Letters 484 (1-3), 64-68, 2009
34 2009 Hybrid quantum/classical simulation and kinetic study of the vibrational predissociation of A Bastida, B Miguel, J Zuniga, A Requena, N Halberstadt, KC Janda
The Journal of chemical physics 111 (10), 4577-4588, 1999
34 1999 