Publicaciones en las que colabora con FRANCISCO TOMAS VERT (41)

2004

  1. Ab initio molecular orbital study of the substituent effect on ammonia and phosphine-borane complexes

    Journal of Molecular Structure: THEOCHEM

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. G2(MP2) molecular orbital study of the substituent effect in the H 3 BPH 3-n F n ( n=0 -3) donor-acceptor complexes

    Chemical Physics Letters, Vol. 324, Núm. 1-3, pp. 156-160

1998

  1. Ab initio study on the mechanism of tropospheric reactions of the nitrate radical with alkenes: Ethene

    Journal of Organic Chemistry, Vol. 63, Núm. 20, pp. 6978-6983

1994

  1. A theoretical study of the geometry and electronic spectra of dioxirane, dioxymethane and its anion

    Chemical Physics Letters, Vol. 229, Núm. 3, pp. 181-190

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, pp. 4419-4424

  4. 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

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

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

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

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

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

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

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

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

  9. 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

  10. VEH electronic band structure of poly(phenylsilane)

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

  11. VEH electronic structure of Si60

    Synthetic Metals, Vol. 61, Núm. 1-2, pp. 155-158

  12. Valence electronic structure of C60: Theoretical analysis of photoemission data

    Synthetic Metals, Vol. 56, Núm. 2-3, pp. 3246-3251

1989

  1. A MO-CI study on the interaction of copper(I) with methylene: The (CuCH2)+ carbene-like ground state

    Journal of Physical Chemistry, Vol. 93, Núm. 18, pp. 6596-6601

1988

  1. On the low-lying states of the copper methylene (CuCH2) complex. a MO CI study

    Chemical Physics Letters, Vol. 149, Núm. 2, pp. 222-227

1987

  1. On C4H9+ energy hypersurface

    Journal of Molecular Structure: THEOCHEM, Vol. 150, Núm. 1-2, pp. 33-49