Publicacións nas que colabora con M. Angeles Peña Gallego (13)

2002

  1. Dissociation of ethylene and several deuterated derivatives at 193 and 157 nm by direct classical trajectories

    Chemical Physics Letters, Vol. 353, Núm. 5-6, pp. 418-425

  2. The role of aromaticity in the planarity of lumiflavin

    Journal of Organic Chemistry, Vol. 67, Núm. 18, pp. 6347-6352

2001

  1. Unimolecular dissociation of the propionyl radical: a classical dynamics study

    Journal of Chemical Physics, Vol. 114, Núm. 8, pp. 3546-3553

2000

  1. A quantum chemical study of aniline/ammonia clusters. Thermodynamic properties and frequency analysis

    Journal of Molecular Structure: THEOCHEM, Vol. 497, Núm. 1-3, pp. 105-113

  2. DFT conformational study of cysteine in gas phase and aqueous solution

    Journal of Molecular Structure: THEOCHEM, Vol. 498, Núm. 1-3, pp. 191-200

  3. Direct dynamics simulation of the methanethiol cation decomposition

    Chemical Physics Letters, Vol. 324, Núm. 1-3, pp. 88-94

  4. Dynamics of the cis-trans isomerization and Cl-O dissociation of chlorine nitrite. Classical trajectory and statistical calculations

    Physical Chemistry Chemical Physics, Vol. 2, Núm. 23, pp. 5393-5399

  5. Intermolecular interactions and cooperative effects in acetonitrile clusters. An ab initio molecular orbital study

    Journal of Molecular Structure: THEOCHEM, Vol. 498, Núm. 1-3, pp. 21-28

1999

  1. A DFT study of a model compound of vitamin D

    Journal of Molecular Structure: THEOCHEM, Vol. 492, Núm. 1-3, pp. 143-150

  2. An ab initio study of a model compound of penicillins

    Journal of Molecular Structure: THEOCHEM, Vol. 491, Núm. 1-3, pp. 177-185

  3. Nonstatistical effects in the unimolecular dissociation of the acetyl radical

    Journal of Chemical Physics, Vol. 110, Núm. 23, pp. 11323-11334

1998

  1. Classical trajectory study of the Cis-trans isomerization and F-O dissociation of FONO

    Journal of Physical Chemistry A, Vol. 102, Núm. 45, pp. 8708-8715