Departament
QUÍMICA FÍSICA
Artículos (24) Publicaciones en las que ha participado algún/a investigador/a
1990
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Analysis of the CIPSI/DCCI approach to characterize the HF AND F2 single bond
Chemical Physics, Vol. 141, Núm. 2-3, pp. 285-295
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Calculation of the relative basicities of methylamines in solution
Chemical Physics Letters, Vol. 169, Núm. 4, pp. 297-300
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Discontinuity of valence CASSCF wave functions around weakly avoided crossing between valence configurations
Chemical Physics Letters, Vol. 172, Núm. 2, pp. 163-168
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ESTUDIO POR CONECTIVIDAD MOLECULAR DE DIVERSAS PROPIEDADES FARMACOLOGICAS DE UN GRUPO DE ANALGESICOS
Anales de la Real Academia de Farmacia, Vol. 56, Núm. 3, pp. 347-358
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ESTUDIO TERMODINAMICO Y CINETICO DE LA REACCION ENTRE LA HIDRALACINA Y EL 2-HIDROXI-1-NAFTALDEHIDO
Anales de la Real Academia de Farmacia, Vol. 56, Núm. 2, pp. 245-254
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ESTUDIOS DE ANALGESIA REALIZADOS A UN GRUPO DE ESTRUCTURAS QUIMICAS OBTENIDAS POR DISENO MOLECULAR
Revista de Farmacologia Clinica y Experimental, Vol. 7, Núm. 4, pp. 209-211
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Electronic structure of phthalocyanines: Theoretical investigation of the optical properties of phthalocyanine monomers, dimers, and crystals
The Journal of Chemical Physics, Vol. 92, Núm. 2, pp. 1228-1235
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GEPOL: An improved description of molecular surfaces. I. Building the spherical surface set
Journal of Computational Chemistry, Vol. 11, Núm. 9, pp. 1047-1060
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HCnN: The largest molecules in the interstellar medium
Journal Of Chemical Education, Vol. 67, Núm. 11, pp. 905-906
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Influence of Annelation on the Electronic Properties of Phthalocyanine Macrocycles
Chemistry of Materials, Vol. 2, Núm. 2, pp. 110-116
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Modified hydrodynamic chromatography and its applications to liposomes
Journal of High Resolution Chromatography, Vol. 13, Núm. 8, pp. 583-584
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Molecular volumes and surfaces of biomacromolecules via GEPOL: A fast and efficient algorithm
Journal of Molecular Graphics, Vol. 8, Núm. 3, pp. 168-172
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Multi-component analysis using OPKINE, a program for the non-linear treatment of kinetic problems
The Analyst, Vol. 115, Núm. 6, pp. 721-724
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Non-exclusion phenomena in size exclusion chromatography with inorganic porous packing: a thermodynamic treatment
Polymer, Vol. 31, Núm. 9, pp. 1694-1702
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On the dissociation energy of Cu2 and CuH using a differential correlation approach
Chemical Physics, Vol. 148, Núm. 1, pp. 69-76
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Oxidative coupling of methane on Mgo. ab initio UHF potential energy surface
Journal of Molecular Structure: THEOCHEM, Vol. 208, Núm. 3-4, pp. 153-162
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Photophysical behavior of norharmane related to proximity effect
Journal of Luminescence, Vol. 47, Núm. 1-2, pp. 27-34
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Predictability of properties of ternary systems solvent/solvent/polymer from interaction parameters of the binary systems-III. Analysis of binary potential functions forming ternary ones
European Polymer Journal, Vol. 26, Núm. 7, pp. 805-810
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Selected dissociation- and correlation-consistent configuration interaction by a perturbative criterion
The Journal of Chemical Physics, Vol. 93, Núm. 1, pp. 495-501
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Solution properties of polyelectrolytes-V. Viscometric study of mixed polyanions in pure water
European Polymer Journal, Vol. 26, Núm. 7, pp. 767-773