검색결과 : 14건
| No. | Article |
|---|---|
| 1 |
Conformational Changes of Trialanine in Water Induced by Vibrational Relaxation of the Amide I Mode Bastida A, Zuniga J, Requena A, Miguel B, Candela ME, Soler MA Journal of Physical Chemistry B, 120(2), 348, 2016 |
| 2 |
Theoretical Study of the Temperature Dependence of the Vibrational Relaxation of the H2O Bend Fundamental in Liquid Water and the Subsequent Distortion of the Hydrogen Bond Network Miguel B, Zuniga J, Requena A, Bastida A Journal of Physical Chemistry B, 118(31), 9427, 2014 |
| 3 |
A Theoretical Study of the Reaction of beta-Carotene with the Nitrogen Dioxide Radical in Solution Ceron-Carrasco JP, Bastida A, Requena A, Zuniga J, Miguel B Journal of Physical Chemistry B, 114(12), 4366, 2010 |
| 4 |
Density Functional Theory Study of the Stability and Vibrational Spectra of the beta-Carotene Isomers Ceron-Carrasco JP, Bastida A, Zuniga J, Requena A, Miguel B Journal of Physical Chemistry A, 113(36), 9899, 2009 |
| 5 |
Density functional theory study of the structure and vibrational spectra of beta-carotene, capsanthin, and capsorubin Requena A, Ceron-Carrasco JP, Bastida A, Zuniga J, Miguel B Journal of Physical Chemistry A, 112(21), 4815, 2008 |
| 6 |
Biomolecular hydrogels formed and degraded via site-specific enzymatic reactions Ehrbar M, Rizzi SC, Schoenmakers RG, San Miguel B, Hubbell JA, Weber FE, Lutolf MP Biomacromolecules, 8(10), 3000, 2007 |
| 7 |
A modified Ehrenfest method that achieves Boltzmann quantum state populations Bastida A, Cruz C, Zuniga J, Requena A, Miguel B Chemical Physics Letters, 417(1-3), 53, 2006 |
| 8 |
Surface hopping simulation of the vibrational relaxation of I-2 in liquid xenon using the collective probabilities algorithm Bastida A, Cruz C, Zuniga J, Requena A, Miguel B Journal of Chemical Physics, 121(21), 10611, 2004 |
| 9 |
Theoretical study of low-lying electronic states of BP molecule Miguel B, Omar S, Mori-Sanchez P, de la Vega JMG Chemical Physics Letters, 381(5-6), 720, 2003 |
| 10 |
Molecular dynamics simulation of the I-2(X)center dot center dot center dot Ar isomers population in a free-jet expansion: Thermodynamics versus kinetic control Bastida A, Zuniga J, Requena A, Miguel B, Beswick JA, Vigue J, Halberstadt N Journal of Chemical Physics, 116(5), 1944, 2002 |