Publications by the researcher in collaboration with Luis Carballeira Ocaña (9)

2004

  1. Theoretical study of the electronic structure of CnS(n=1-6) thiocumulenes

    Journal of Chemical Physics, Vol. 121, Núm. 21, pp. 10447-10455

1990

  1. Ab initio gradient conformational analysis of polyazocyclohexanes:1,4-diazocyclohexane, 1,3-diazocyclohexane and 1,3,5-triazocyclohexane

    Journal of Molecular Structure: THEOCHEM, Vol. 205, Núm. C, pp. 223-234

  2. Ab initio studies of molecules with N-C-O units. Part I. Methylaminomethanol, 1-methoxymethylamine and 1-methoxy-N-N-dimethyl-methylamine

    Journal of Molecular Structure: THEOCHEM, Vol. 205, Núm. C, pp. 235-244

1989

  1. Conformational analysis of polyfunctional amino compounds by molecular mechanics. Part II. 1,2-Ethanediamine, 1,3-propanediamine and 1,4-diazacyclohexanes

    Journal of Molecular Structure, Vol. 193, Núm. C, pp. 263-277

  2. Conformational analysis of polyfunctional amino compounds by molecular mechanics. Part III. 1,3,5-Triazacyclohexanes, 2,5,7,10-tetrazabicyclo[4.4.0]-decanes and 1,3,5,7-tetrazabicyclo[3.3.1]nonanes

    Journal of Molecular Structure, Vol. 195, Núm. C, pp. 89-101

  3. Molecular mechanics of peroxides. II. Cyclic compounds

    Journal of Computational Chemistry, Vol. 10, Núm. 7, pp. 911-920

1988

  1. Conformational analysis of polyfunctional aminic compounds by molecular mechanics. Part I. Methanediamines and 1,3-diazacyclohexanes

    Journal of Molecular Structure, Vol. 176, Núm. C, pp. 89-105

  2. Molecular mechanics of peroxides. I. Parametrization and conformational analysis of linear compounds

    Journal of Computational Chemistry, Vol. 9, Núm. 8, pp. 851-860

1986

  1. Conformational analysis of divinylketones by molecular mechanics (MMPI)

    Journal of Molecular Structure: THEOCHEM, Vol. 136, Núm. 3-4, pp. 351-359