Química Física

1988

1. A generalization for mixtures of a fast algorithm to calculate some intermolecular orientational averages

   Computers and Chemistry, Vol. 12, Núm. 4, pp. 343-356

2. A study of anthracene-metallic cation interactions by UV-Vis spectroscopy.

   Journal of Molecular Structure, Vol. 175, Núm. C, pp. 323-328

3. 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

4. Ab initio rotational energy levels and internal rotation splittings in protonated acetylene C2H3+

   Chemical Physics Letters, Vol. 150, Núm. 1-2, pp. 60-62

5. 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

6. 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

7. Application of Wiberg indices to geometry optimization. CC distances

   Journal of Molecular Structure, Vol. 175, Núm. C, pp. 203-208

8. 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

9. Calculation of the transitions in the amine inversion vibration of some local anesthetics

   Journal of Molecular Structure, Vol. 175, Núm. C, pp. 81-84

10. 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

11. Core polarization corrections on the relativistic core effective potentials formalism

    Journal of Molecular Structure: THEOCHEM, Vol. 166, Núm. C, pp. 163-168

12. Core/valence partition and relativistic effects in effective potentials for transition metals

    International Journal of Quantum Chemistry, Vol. 34, Núm. 3, pp. 267-277

13. Electronic structure of CaSi and CaSi2

    Zeitschrift für Physik B Condensed Matter, Vol. 71, Núm. 1, pp. 69-74

14. Erratum: The structure of liquid 1,2 dichloroethane by neutron diffraction. I. Molecular structure, full pair correlation function, and temperature effects (Journal of Chemical Physics (1987) 87 (7171))

    The Journal of Chemical Physics

15. Fluorescence studies of the polycomplexes formed by interaction of polyvinylpyridine with polyacids

    European Polymer Journal, Vol. 24, Núm. 9, pp. 895-898

16. HEAT-CAPACITY AND STRUCTURE IN NON-ELECTROLYTE SYSTEMS

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

17. 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

18. How well do we know the structure of simple molecular liquids? CCI4 revisited

    Molecular Physics, Vol. 64, Núm. 6, pp. 1169-1184

19. 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

20. 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