Publicacións nas que colabora con Jose Manuel Hermida Ramon (26)

2014

  1. Theoretical design of molecular grippers for anion recognition based on subporphyrazines and subphthalocyanines

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 13, pp. 6108-6117

2013

  1. A computational study of the protonation of simple amines in water clusters

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 41, pp. 18204-18216

2011

  1. Anion-π aromatic neutral tweezers complexes: Are they stable in polar solvents?

    Journal of Physical Chemistry A, Vol. 115, Núm. 10, pp. 2016-2025

  2. Erratum: Ultrafast ring-opening/closing and deactivation channels for a model spiropyran-merocyanine system (Journal of Physical Chemistry A (2011) 115 (9128-9138) DOI: 10.1021/jp2062095)

    Journal of Physical Chemistry A

  3. Synthesis, spectral studies, crystal structures and TDDFT studies of the rhenium(I) complexes of 2,4-dihydroxy-N′-(4-hydroxybenzilidene) benzohydrazide

    Polyhedron, Vol. 30, Núm. 6, pp. 953-962

2010

  1. Enhancing the interactions between neutral molecular tweezers and anions

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 1, pp. 164-169

2008

  1. Molecular tweezers as receptors for anions: An energetic and topological study

    Journal of Molecular Structure: THEOCHEM, Vol. 854, Núm. 1-3, pp. 1-9

2007

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

    European Journal of Organic Chemistry, pp. 2344-2351

  2. Structural study of methane hydrate

    Structural Chemistry, Vol. 18, Núm. 5, pp. 649-652

  3. Towards the design of neutral molecular tweezers for anion recognition

    Chemistry - A European Journal, Vol. 13, Núm. 17, pp. 4743-4749

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