PEDRO CARLOS
GÓMEZ CALZADA
Catedrático de universidad
Universidad Politécnica de Madrid
Madrid, EspañaPublications in collaboration with researchers from Universidad Politécnica de Madrid (24)
2013
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A theoretical study on the formation of iodine oxide aggregates and monohydrates
Physical Chemistry Chemical Physics, Vol. 15, Núm. 37, pp. 15572-15583
2011
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Ab initio study of hydroxyl torsional barriers and molecular properties of mono-and di-iodotyrosine
Journal of Physical Chemistry A, Vol. 115, Núm. 45, pp. 12616-12623
2009
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Characterization of two types of intermolecular interactions on halogen monoxide monohydrates
Journal of Computational Chemistry, Vol. 30, Núm. 15, pp. 2538-2549
2006
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Theoretical study of stratospheric relevant anions: Nitrate - Nitric acid complexes
Journal of Physical Chemistry A, Vol. 110, Núm. 10, pp. 3750-3758
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Variation of atomic charges on proton transfer in strong hydrogen bonds: The case of anionic and neutral imidazole-acetate complexes
Journal of Computational Chemistry, Vol. 27, Núm. 14, pp. 1650-1661
2005
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Environmental effects on proton transfer in a strong hydrogen bond dimer: The 4-methyl-imidazole-aspartate case
Physical Chemistry Chemical Physics
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Variation of geometries and electron properties along proton transfer in strong hydrogen-bond complexes
Journal of Chemical Physics, Vol. 122, Núm. 21
2004
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Dependence of calculated NMR proton chemical shifts on electron density properties in proton-transfer processes on short strong hydrogen bonds
Journal of Physical Chemistry A, Vol. 108, Núm. 52, pp. 11783-11792
2003
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Variation with the intermolecular distance of properties dependent on the electron density in cyclic dimers with two hydrogen bonds
Journal of Chemical Physics, Vol. 118, Núm. 11, pp. 4878-4895
2001
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Atomic charges in conformers of gaseous glycine
Journal of Molecular Structure: THEOCHEM, Vol. 544, Núm. 1-3, pp. 237-251
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Intramolecular effects and relative stabilities of conformers of gaseous glycine
Journal of Physical Chemistry A, Vol. 105, Núm. 21, pp. 5232-5241
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Intramolecular interactions and intramolecular hydrogen bonding in conformers of gaseous glycine
Journal of Computational Chemistry, Vol. 22, Núm. 7, pp. 702-716
2000
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Structures and bonding in silane derivatives with one alkali atom
Journal of Physical Chemistry A, Vol. 104, Núm. 32, pp. 7617-7624
1999
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Bonding in bromine oxides: Isomers of BrO2, Br2O2 and BrO3
Journal of Molecular Structure: THEOCHEM, Vol. 467, Núm. 3, pp. 223-231
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Bromine and Mixed Bromine Chlorine Oxides: Wave Function (CCSD(T) and MP2) versus Density Functional Theory (B3LYP) Calculations
Journal of Physical Chemistry A, Vol. 103, Núm. 6, pp. 739-743
1998
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Ab initio study of BrO3 isomers
Chemical Physics Letters, Vol. 289, Núm. 3-4, pp. 412-418
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Radial behavior of gradient expansion approximation to atomic Fukui function and shell structure of atoms
Journal of Computational Chemistry, Vol. 19, Núm. 5, pp. 488-503
1997
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Ab initio study of bromine dioxides OBrO and BrOO
Journal of Physical Chemistry A, Vol. 101, Núm. 9, pp. 1767-1773
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Fourfold Clusters of Rovibrational Energies in H2Po Studied with an ab Initio Potential Energy Function
Journal of Molecular Spectroscopy, Vol. 186, Núm. 1, pp. 99-104
1996
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The torsional barrier of CIOOCI
Journal of Physical Chemistry, Vol. 100, Núm. 21, pp. 8731-8736