Departamento de Química Física
Departamento
Jose Manuel
Hermida Ramon
Publicacións nas que colabora con Jose Manuel Hermida Ramon (27)
2014
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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
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A computational study of the protonation of simple amines in water clusters
Physical Chemistry Chemical Physics, Vol. 15, Núm. 41, pp. 18204-18216
2011
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Anion-π aromatic neutral tweezers complexes: Are they stable in polar solvents?
Journal of Physical Chemistry A, Vol. 115, Núm. 10, pp. 2016-2025
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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
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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
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Enhancing the interactions between neutral molecular tweezers and anions
Physical Chemistry Chemical Physics, Vol. 12, Núm. 1, pp. 164-169
2008
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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
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DFT study of the nucleophilic addition of water to ketenes
European Journal of Organic Chemistry, pp. 2344-2351
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Structural study of methane hydrate
Structural Chemistry, Vol. 18, Núm. 5, pp. 649-652
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Towards the design of neutral molecular tweezers for anion recognition
Chemistry - A European Journal, Vol. 13, Núm. 17, pp. 4743-4749
2005
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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
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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
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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
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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
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Computational study of the dissociation of oxalic acid in water clusters
Chemical Physics, Vol. 302, Núm. 1-3, pp. 53-60
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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
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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
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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
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DFT Study of Pericyclic and Pseudopericyclic Thermal Cheletropic Decarbonylations. Evaluation of Magnetic Properties
Journal of Organic Chemistry, Vol. 68, Núm. 23, pp. 8823-8830
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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