Departamento
Química Física
Artículos (43) Publicaciones en las que ha participado algún/a investigador/a
1988
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A generalization for mixtures of a fast algorithm to calculate some intermolecular orientational averages
Computers and Chemistry, Vol. 12, Núm. 4, pp. 343-356
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A study of anthracene-metallic cation interactions by UV-Vis spectroscopy.
Journal of Molecular Structure, Vol. 175, Núm. C, pp. 323-328
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A theoretical analysis of the ultraviolet spectrum (180-260 nm) of pure liquid benzene - Gas-liquid spectral shifts explained through a statistically perturbed CNDO/S framework
Zeitschrift für Physik D Atoms, Molecules and Clusters, Vol. 9, Núm. 3, pp. 243-251
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Ab initio rotational energy levels and internal rotation splittings in protonated acetylene C2H3+
Chemical Physics Letters, Vol. 150, Núm. 1-2, pp. 60-62
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Amide resonance and FT-IR spectra of some β-lactam derivatives: application of resolution enhancement procedures in Fourier space
Journal of Molecular Structure, Vol. 174, Núm. C, pp. 123-128
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Analysis of the single differential neutron scattering cross section from disordered systems by maximum entropy
Nuclear Inst. and Methods in Physics Research, B, Vol. 34, Núm. 4, pp. 505-511
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Application of Wiberg indices to geometry optimization. CC distances
Journal of Molecular Structure, Vol. 175, Núm. C, pp. 203-208
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Bulk and surface thermodynamic properties in mixtures of small rigid molecules: The CCl4 + CS2 system
Journal of Physical Chemistry, Vol. 92, Núm. 1, pp. 228-234
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Calculation of the transitions in the amine inversion vibration of some local anesthetics
Journal of Molecular Structure, Vol. 175, Núm. C, pp. 81-84
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Classical trajectory studies of the reagent rotational energy dependence for the reactions X + ICH3 → XI + CH3 (X = Na and F)
Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, Vol. 84, Núm. 10, pp. 1765-1773
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Core polarization corrections on the relativistic core effective potentials formalism
Journal of Molecular Structure: THEOCHEM, Vol. 166, Núm. C, pp. 163-168
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Core/valence partition and relativistic effects in effective potentials for transition metals
International Journal of Quantum Chemistry, Vol. 34, Núm. 3, pp. 267-277
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Electronic structure of CaSi and CaSi2
Zeitschrift für Physik B Condensed Matter, Vol. 71, Núm. 1, pp. 69-74
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Fluorescence studies of the polycomplexes formed by interaction of polyvinylpyridine with polyacids
European Polymer Journal, Vol. 24, Núm. 9, pp. 895-898
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Heat capacity and corresponding states in alkan-1-ol-n-alkane systems
Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, Vol. 84, Núm. 11, pp. 3991-4012
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How well do we know the structure of simple molecular liquids? CCI4 revisited
Molecular Physics, Vol. 64, Núm. 6, pp. 1169-1184
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Identification of ionic and tautomeric species of uracil by second derivative UV absorption spectroscopy.
Journal of Molecular Structure, Vol. 175, Núm. C, pp. 31-36
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Influence of pressure on the thermodynamic properties of simple molecular fluids: CCl4 + CS2 system
Journal of Physical Chemistry, Vol. 92, Núm. 13, pp. 3998-4006
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Infrared study of some solid local anesthetics
Spectrochimica Acta Part A: Molecular Spectroscopy, Vol. 44, Núm. 12, pp. 1465-1471
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Kinematics and dynamical effects in the total and differential excitation functions. A variational transition state theory analysis
Chemical Physics, Vol. 120, Núm. 2, pp. 273-289