Publications by the researcher in collaboration with Vicent Sixte Safont Villareal (8)

1999

  1. Theoretical study of the mechanisms for the alkoxyacetic acids decomposition

    Journal of Physical Chemistry A, Vol. 103, Núm. 20, pp. 3935-3943

1998

  1. Comparative theoretical study of transition structures, barrier heights, and reaction energies for the intramolecular tautomerization in acetaldehyde / vinyl alcohol and acetaldimine / vinylamine systems

    International Journal of Quantum Chemistry, Vol. 66, Núm. 1, pp. 9-24

  2. The tandem Diels-Alder reaction between acetylenedicarboxyaldehyde and N,N'-dipyrrolylmethane. An ab initio study of the molecular mechanisms

    Journal of Molecular Structure: THEOCHEM, Vol. 426, Núm. 1-3, pp. 257-262

1997

  1. Ab Initio Study of Stereo- and Regioselectivity in the Diels-Alder Reaction between 2-Phenylcyclopentadiene and α-(Methylthio)acrylonitrile

    Journal of Organic Chemistry, Vol. 62, Núm. 6, pp. 1775-1778

  2. Potential energy surface for the decomposition of mandelic acid

    Chemical Physics Letters, Vol. 274, Núm. 5-6, pp. 422-428

1996

  1. On transition structures for hydride transfer step in enzyme catalysis. A comparative study on models of glutathione reductase derived from semiempirical, HF, and DFT methods

    Journal of Organic Chemistry, Vol. 61, Núm. 22, pp. 7777-7783

  2. On transition structures for hydride transfer step: A theoretical study of the reaction catalyzed by dihydrofolate reductase enzyme

    Bioorganic Chemistry, Vol. 24, Núm. 1, pp. 10-18

  3. Theoretical study of the solvent effects on the mechanisms of addition of dimethyl acetylenedicarboxylate to 1-methyl-2-vinylpyrrole

    Tetrahedron, Vol. 52, Núm. 32, pp. 10693-10704