Publicacións nas que colabora con Emilio Martinez Nuñez (16)

2003

  1. Product energy distributions from ethylene photodissociation at 193 nm: A DFT direct classical trajectory study

    Chemical Physics Letters, Vol. 369, Núm. 1-2, pp. 1-7

2002

  1. A theoretical study of the dynamics of the S + c-C3H reaction

    Journal of Physical Chemistry A, Vol. 106, Núm. 37, pp. 8811-8819

  2. 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

  3. The role of aromaticity in the planarity of lumiflavin

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

2001

  1. Product energy distributions for the four-center HF elimination from 1,1-difluoroethylene. a direct dynamics study

    Chemical Physics Letters, Vol. 348, Núm. 1-2, pp. 81-88

  2. 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

1997

  1. Conformational analysis of model compounds of vitamin D by theoretical calculations

    Journal of Computational Chemistry, Vol. 18, Núm. 13, pp. 1647-1655