Follow
Adolfo Bastida Pascual
Adolfo Bastida Pascual
Catedrático de Universidad, Universidad de Murcia
Verified email at um.es
Title
Cited by
Cited by
Year
Química física
T Engel, P Reid, W Hehre, AR Rodríguez, JZ Román, AB Pascual
Pearson Addison Wesley, 2006
672006
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
582006
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), 2007
572007
Interlocked supramolecular polymers created by combination of halogen-and hydrogen-bonding interactions through anion-template self-assembly
F Zapata, L Gonzalez, A Caballero, A Bastida, D Bautista, P Molina
Journal of the American Chemical Society 140 (6), 2041-2045, 2018
562018
Vibrational predissociation of the I2⋯ Ne2 cluster: A molecular dynamics with quantum transitions study
A Bastida, J Zúñiga, A Requena, N Halberstadt, JA Beswick
The Journal of chemical physics 109 (15), 6320-6328, 1998
451998
Electron impact ionization of small argon clusters
A Bastida, N Halberstadt, JA Beswick, FX Gadéa, U Buck, R Galonska, ...
Chemical physics letters 249 (1-2), 1-6, 1996
451996
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
442015
Antioxidant properties of β-carotene isomers and their role in photosystems: insights from ab initio simulations
J Cerezo, J Zúñiga, A Bastida, A Requena, JP Ceron-Carrasco, ...
The Journal of Physical Chemistry A 116 (13), 3498-3506, 2012
432012
A theoretical study of the reaction of β-carotene with the nitrogen dioxide radical in solution
JP Cerón-Carrasco, A Bastida, A Requena, J Zuniga, B Miguel
The Journal of Physical Chemistry B 114 (12), 4366-4372, 2010
402010
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
402008
Instantaneous normal modes, resonances, and decay channels in the vibrational relaxation of the amide I mode of N-methylacetamide-D in liquid deuterated water
A Bastida, MA Soler, J Zúñiga, A Requena, A Kalstein, ...
The Journal of chemical physics 132 (22), 2010
392010
A theoretical study of the HgAr2(3P11S) vibronic spectrum
J Zúñiga, A Bastida, A Requena, N Halberstadt, JA Beswick
The Journal of chemical physics 98 (2), 1007-1017, 1993
391993
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
382001
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
381999
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
341999
Optimization of vibrational coordinates
J Zúñiga, A Bastida, A Requena
Journal of the Chemical Society, Faraday Transactions 93 (9), 1681-1690, 1997
341997
Importance of polarization and charge transfer effects to model the infrared spectra of peptides in solution
F Ingrosso, G Monard, M Hamdi Farag, A Bastida, MF Ruiz-López
Journal of Chemical Theory and Computation 7 (6), 1840-1849, 2011
332011
Molecular dynamics simulation of the isomers population in a free-jet expansion: Thermodynamics versus kinetic control
A Bastida, J Zúniga, A Requena, B Miguel, JA Beswick, J Vigué, ...
The Journal of chemical physics 116 (5), 1944-1953, 2002
312002
Application of trajectory surface hopping to vibrational predissociation
A Bastida, J Zúñiga, A Requena, I Sola, N Halberstadt, JA Beswick
Chemical physics letters 280 (3-4), 185-188, 1997
311997
Matrix elements for the modified Pöschl—Teller potential
J Zúñiga, M Alacid, A Requena, A Bastida
International journal of quantum chemistry 57 (1), 43-51, 1996
311996
The system can't perform the operation now. Try again later.
Articles 1–20