Publicaciones en las que colabora con RAUL CRESPO CRESPO (26)

2002

  1. Conformational effects on the ultraviolet absorption spectrum of n-Tetrasilane: Multistate complete active space second-order perturbation theory treatment

    Journal of Physical Chemistry A, Vol. 106, Núm. 42, pp. 9868-9873

2001

  1. Thermochemical analysis of the OH + C2H4→ C2H4OH reaction using accurate theoretical methods

    Journal of Molecular Structure: THEOCHEM, Vol. 537, Núm. 1, pp. 199-212

2000

  1. Electronic excitation in a saturated chain: An MS-CASPT2 treatment of the anti conformer of n-tetrasilane

    Journal of Physical Chemistry A, Vol. 104, Núm. 37, pp. 8593-8599

1996

  1. Theoretical determination of the molecular and solid-state electronic structures of phthalocyanine and largely extended phthalocyanine macrocycles

    Journal of Materials Chemistry, Vol. 6, Núm. 11, pp. 1751-1761

1993

  1. AM1 prediction of the equilibrium geometry of Si60

    Chemical Physics Letters, Vol. 213, Núm. 5-6, pp. 509-513

  2. Electronic properties of poly(pyrrylene vinylenes): a theoretical approach

    Synthetic Metals, Vol. 54, Núm. 1-3, pp. 181-186

  3. Electronic structure of polysilanes: Influence of substitution and conformation

    Synthetic Metals, Vol. 57, Núm. 2 -3 pt 6, pp. 4419-4424

  4. Electronic structure of polysilanes: influence of substitution and conformation

    Synthetic Metals, Vol. 57, Núm. 2-3, pp. 4419-4424

  5. Evolution of the electronic properties of graded poly(thienylene vinylene)-poly(pyrrylene vinylene) mixed copolymers

    Synthetic Metals, Vol. 61, Núm. 1-2, pp. 151-154

  6. Influence of structural isomerism on the electronic properties of extended phthalocyanines

    Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol. 234, Núm. 1, pp. 241-246

  7. Theoretical calculations on the valence electronic structure of naphthalocyanine: Comparison with experimental photoemission data

    Synthetic Metals, Vol. 57, Núm. 2 -3 pt 6, pp. 4513-4518

  8. Theoretical calculations on the valence electronic structure of naphthalocyanine: comparison with experimental photoemission data

    Synthetic Metals, Vol. 57, Núm. 2-3, pp. 4513-4518

  9. Theoretical characterization of the electronic properties of unsymmetrical phthalocyanine analogues

    Synthetic Metals, Vol. 57, Núm. 2-3, pp. 4519-4524

  10. Theoretical characterization of the electronic properties of unsymmetrical phthalocyanine analogues

    Synthetic Metals, Vol. 57, Núm. 2 -3 pt 6, pp. 4519-4524

  11. Theoretical investigation on the effects of methyl substitution on the electronic properties of polysilane

    Synthetic Metals, Vol. 54, Núm. 1-3, pp. 173-179

  12. Theoretical search for low-band-gap vinylene linked polymers: Heteroarylene vinylene copolymers

    Synthetic Metals, Vol. 57, Núm. 2 -3 pt 6, pp. 4565-4571

  13. Theoretical search for low-band-gap vinylene linked polymers: heteroarylene vinylene copolymers

    Synthetic Metals, Vol. 57, Núm. 2-3, pp. 4565-4571

  14. Theoretical study on the effect of backbone conformation on the electronic structure of poly(di-n-butylsilane)

    Synthetic Metals, Vol. 57, Núm. 2 -3 pt 6, pp. 4425-4430

  15. Theoretical study on the effect of backbone conformation on the electronic structure of poly(di-n-butylsilane)

    Synthetic Metals, Vol. 57, Núm. 2-3, pp. 4425-4430

  16. VEH electronic band structure of poly(phenylsilane)

    Synthetic Metals, Vol. 61, Núm. 1-2, pp. 107-111