Publicacións nas que colabora con Saulo A. Vázquez Rodríguez (20)

2016

  1. Relevance of weak intermolecular forces on the supramolecular structure of free or DMSO solvated 5-(4-X-benzylidene)rhodanines (X = F, Cl, Br, I)

    Journal of Molecular Structure, Vol. 1120, pp. 100-114

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. Direct dynamics simulation of the methanethiol cation decomposition

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

  2. 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

1999

  1. 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

1990

  1. Ab initio gradient conformational analysis of polyazocyclohexanes:1,4-diazocyclohexane, 1,3-diazocyclohexane and 1,3,5-triazocyclohexane

    Journal of Molecular Structure: THEOCHEM, Vol. 205, Núm. C, pp. 223-234

  2. An ab initio gradient study of ethylhydrazine

    Journal of Molecular Structure: THEOCHEM, Vol. 206, Núm. 1-2, pp. 49-66

1989

  1. AB initio gradient optimized molecular geometry and conformational analysis of 1,2-propanediol at the 4-21G level

    Journal of Molecular Structure: THEOCHEM, Vol. 184, Núm. 3-4, pp. 323-342

  2. Ab initio-gradient optimized molecular geometry and conformational analysis of 2-methoxyethanol at the 4-21G level

    Journal of Molecular Structure: THEOCHEM, Vol. 188, Núm. 1-2, pp. 95-104

  3. An ab initio gradient study of trimethylhydrazine

    Journal of Molecular Structure: THEOCHEM, Vol. 184, Núm. 3-4, pp. 311-322

  4. Study of the geometric trends and rotational constants of 1-fluoro-2-propanol and 2-fluoropropanol by Ab Initio calculations

    Tetrahedron Computer Methodology, Vol. 2, Núm. 2, pp. 85-92

1988

  1. Ab initio-gradient optimized molecular geometry and conformational analysis of 1,3-propanediol at the 4-21G level

    Journal of Molecular Structure: THEOCHEM, Vol. 181, Núm. 1-2, pp. 149-167

1986

  1. Complete Structural Analysis of Cyclic Polyhalogenated Monoterpenes. A Force Field 2D NMR Study

    Journal of Organic Chemistry, Vol. 51, Núm. 25, pp. 4970-4973