Publications by the researcher in collaboration with Jose Manuel Hermida Ramon (12)

2007

  1. DFT study of the nucleophilic addition of water to ketenes

    European Journal of Organic Chemistry, pp. 2344-2351

2005

  1. A DFT study of the pericyclic/pseudopericyclic character of cycloaddition reactions of ethylene and formaldehyde to buta-1,3-dien-1-one and derivatives

    Journal of Physical Chemistry A, Vol. 109, Núm. 25, pp. 5636-5644

  2. A density functional theory study on the electrocyclization of 1,2,4,6-heptatetraene analogues: Converting a pericyclic to a pseudopericyclic reaction

    Chemistry - A European Journal, Vol. 11, Núm. 20, pp. 5966-5974

  3. Are electrocyclization reactions of (3Z)-1,3,5-hexatrienone and nitrogen derivatives pseudopericyclic? A DFT study

    Journal of Organic Chemistry, Vol. 70, Núm. 10, pp. 3921-3928

  4. Theoretical characterization of structures and energies of benzene- (H 2 S) n and (H 2 S) n (n=1-4) clusters

    Journal of Chemical Physics, Vol. 122, Núm. 20

2004

  1. Computational study of the dissociation of oxalic acid in water clusters

    Chemical Physics, Vol. 302, Núm. 1-3, pp. 53-60

  2. Computational study of the interaction in (CH3)2X dimer and trimer (X = O, S)

    Journal of Physical Chemistry A, Vol. 108, Núm. 22, pp. 4923-4929

2003

  1. Ab initio MP2 and DFT study of the thermal syn elimination reaction in ethyl formate

    Journal of Physical Chemistry A, Vol. 107, Núm. 10, pp. 1651-1654

  2. Computational Study of the Interaction in X-(CH 3NH2)n Clusters (X = F, Cl; n = 1-4). The Balance between Ion-Molecule and Molecule-Molecule Interactions

    Journal of Physical Chemistry A, Vol. 107, Núm. 47, pp. 10184-10190

  3. DFT Study of Pericyclic and Pseudopericyclic Thermal Cheletropic Decarbonylations. Evaluation of Magnetic Properties

    Journal of Organic Chemistry, Vol. 68, Núm. 23, pp. 8823-8830

  4. Evaluation of magnetic properties as a criterion for the elucidation of the pseudopericyclic character of 1,5-electrocyclizations in nitrile ylides

    Journal of Physical Chemistry A, Vol. 107, Núm. 24, pp. 4962-4966

2002

  1. Computational study of the dissociation of H-X acids (X = F, Cl, Br, I) in water clusters

    Journal of Chemical Physics, Vol. 117, Núm. 7, pp. 3160-3168