| Química física T Engel, P Reid, W Hehre, AR Rodríguez, JZ Román, AB Pascual Pearson Addison Wesley, 2006 | 69 | 2006 |
| 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 | 61 | 2006 |
| 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 | 60 | 2018 |
| 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 | 58 | 2007 |
| 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 | 52 | 2015 |
| 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 | 46 | 2012 |
| 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 | 45 | 1996 |
| 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 | 44 | 1998 |
| A theoretical study of the reaction of β-carotene with the nitrogen dioxide radical in solution JP Cerón-Carrasco, A Bastida, A Requena, J Zúñiga, B Miguel The Journal of Physical Chemistry B 114 (12), 4366-4372, 2010 | 41 | 2010 |
| 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 | 41 | 2008 |
| 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 | 39 | 2010 |
| A theoretical study of the HgAr2(3P1←1S) vibronic spectrum J Zúñiga, A Bastida, A Requena, N Halberstadt, JA Beswick The Journal of chemical physics 98 (2), 1007-1017, 1993 | 39 | 1993 |
| Optimal generalized internal vibrational coordinates and potential energy surface for the ground electronic state of SO2 J Zúñiga, A Bastida, A Requena The Journal of chemical physics 115 (1), 139-148, 2001 | 38 | 2001 |
| 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 |
| Optimization of vibrational coordinates J Zúñiga, A Bastida, A Requena Journal of the Chemical Society, Faraday Transactions 93 (9), 1681-1690, 1997 | 35 | 1997 |
| 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 | 34 | 2011 |
| Hybrid quantum/classical simulation and kinetic study of the vibrational predissociation of Cl2⋯ Nen (n= 2, 3) A Bastida, B Miguel, J Zuniga, A Requena, N Halberstadt, KC Janda The Journal of chemical physics 111 (10), 4577-4588, 1999 | 33 | 1999 |
| 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 | 32 | 1997 |
| Density functional theory study of the stability and vibrational spectra of the β-carotene isomers JP Ceron-Carrasco, A Bastida, J Zuniga, A Requena, B Miguel The Journal of Physical Chemistry A 113 (36), 9899-9907, 2009 | 31 | 2009 |
| 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 | 31 | 2002 |
