Publications by the researcher in collaboration with Luis Carballeira Ocaña (14)

2001

  1. A theoretical study of the S + C2H reaction: Potential energy surfaces and dynamics

    Journal of Physical Chemistry A, Vol. 105, Núm. 19, pp. 4716-4725

  2. A theoretical study of the low-lying electronic states of SC3

    Chemical Physics Letters, Vol. 343, Núm. 1-2, pp. 105-112

1992

  1. Conformational analysis of tricyclic systems including the NCO unit by molecular mechanics IV. Perhydrocycloalkane [e] pyrido[1,2-c]-1,3-oxazines

    Journal of Molecular Structure, Vol. 274, Núm. C, pp. 259-275

  2. Molecular mechanics study of conformational trends in simple alcohols and ethers. II. Intramolecular hydrogen bonding

    Journal of Computational Chemistry, Vol. 13, Núm. 7, pp. 851-859

1991

  1. A molecular mechanics study of conformational trends in simple alcohols and ethers. Part I: Geometric trends

    Journal of Computational Chemistry, Vol. 12, Núm. 7, pp. 872-879

  2. Conformational analysis of bicyclic systems including the NCO unit by molecular mechanics Part II. 4,5- and 5,6- Tetramethylene perhydro-1,3-oxazines

    Journal of Molecular Structure, Vol. 246, Núm. 3-4, pp. 301-319

  3. Conformational analysis of bicyclic systems including the NCO unit by molecular mechanics. Part I. Perhydropyrido [1,2-c][1,3] oxazines

    Journal of Molecular Structure, Vol. 245, Núm. 1-2, pp. 53-67

  4. Conformational analysis of bicyclic systems including the NCO unit by molecular mechanics. Part III. Perhydro-oxazolo [3,4-a] pyridine, perhydro- oxazolo [3,4-c] [1,3]oxazines and perhydro [1,3] oxazino [3,4-c] [1,3]oxazines

    Journal of Molecular Structure, Vol. 263, Núm. C, pp. 157-166

  5. Molecular mechanics (MM2) and conformational analysis of compounds with NCO units. Parametrization of the force field and anomeric effect

    Journal of Computational Chemistry, Vol. 12, Núm. 1, pp. 78-90

1990

  1. AB initio studies of molecules with N-C-O units. Part 2. 1-oxa-3-azacyclohexane, 1-oxa-3,5-diazacyclohexane and 1,3-dioxa-5-azacyclohexane

    Journal of Molecular Structure: THEOCHEM, Vol. 206, Núm. 1-2, pp. 29-38

  2. Ab Initio studies of molecules with N-C-O units. Part IV. N,N-dimethylaminomethanol, 2-amino-2-propanol and 1-methylaminoethanol

    Journal of Molecular Structure: THEOCHEM, Vol. 209, Núm. 3-4, pp. 201-209

  3. 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

  4. 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

  5. Ab initio studies of molecules with N-C-O units. Part III. 1-Methoxy-N-methyl-methylamine and 1-aminoethanol

    Journal of Molecular Structure: THEOCHEM, Vol. 206, Núm. 3-4, pp. 277-285