Publicacións nas que colabora con Miguel Ángel Ríos Fernández (31)

2000

  1. Ab initio molecular analysis of dimethyl ether dimer. Thermodynamic properties

    Theoretical Chemistry Accounts, Vol. 105, Núm. 1, pp. 1-6

  2. An ab initio polarizable intermolecular potential for dimethyl ether: Application to liquid simulations

    Chemical Physics, Vol. 262, Núm. 2-3, pp. 423-436

  3. The study of A(CH3OH)1-6 (A = Li+, Na+) in the gas phase based on ab initio calculations, analysis of the solvation process

    Chemical Physics, Vol. 254, Núm. 2-3, pp. 109-123

1999

  1. A new intermolecular polarizable potential for cis-formic acid. Introduction of many-body interactions in condensed phases

    Chemical Physics, Vol. 250, Núm. 2, pp. 155-169

1998

  1. A new intermolecular polarizable potential for a formaldehyde dimer. Application to liquid simulations

    Journal of Physical Chemistry A, Vol. 102, Núm. 52, pp. 10818-10827

  2. Ab initio molecular orbital analysis of acetaldehyde dimers. Thermodynamic properties

    Chemical Physics Letters, Vol. 290, Núm. 4-6, pp. 431-436

  3. The energy of interaction between two acetone molecules: A potential function constructed from ab initio data

    Journal of Physical Chemistry A, Vol. 102, Núm. 15, pp. 2594-2602

1995

  1. Correlation between the anti-HIV activity and electrostatic properties of 3′-substituted deoxythymidines

    Journal of Molecular Structure: THEOCHEM, Vol. 334, Núm. 1, pp. 37-43

1993

  1. A semiempirical AM1 conformational study of 3'-substituted deoxythymidines

    Journal of Molecular Structure: THEOCHEM, Vol. 288, Núm. 3, pp. 207-214

  2. Semiempirical (AM1) and ab initio calculations of 2-X-adenine (X = H, F, Cl) and β-D-1-amino-2,3-didehydro-1,2,3-trideoxyribofuranose

    Journal of Molecular Structure: THEOCHEM, Vol. 280, Núm. 2-3, pp. 211-222

1991

  1. Ab initio conformational studies of peroxides. Part 2. A 6-31G* study of various cyclic peroxides

    Journal of Molecular Structure: THEOCHEM, Vol. 235, Núm. 1-2, pp. 25-37

  2. Ab initio study of the molecular structure of linear furocoumarins and pyrrolocoumarins

    Journal of Molecular Structure: THEOCHEM, Vol. 231, Núm. C, pp. 163-168

  3. Ab initio study of the structure and tautomerism in 7-hydroxy-1-indanone

    Journal of Molecular Structure: THEOCHEM, Vol. 226, Núm. 3-4, pp. 303-306

  4. Ab initio study of the structure and tautomerism of internally hydrogen-bonded aromatic carbonyls: Salicylaldehyde and o-hydroxyacetophenone

    Structural Chemistry, Vol. 2, Núm. 6, pp. 575-580

  5. An ab initio conformational analysis of isobutylamine and diisopropylamine

    Journal of Molecular Structure: THEOCHEM, Vol. 251, Núm. C, pp. 319-326

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

  3. An ab initio gradient study of ethylhydrazine

    Journal of Molecular Structure: THEOCHEM, Vol. 206, Núm. 1-2, pp. 49-66

1989

  1. AB initio gradient optimized molecular geometry and conformational analysis of 1,2-propanediol at the 4-21G level

    Journal of Molecular Structure: THEOCHEM, Vol. 184, Núm. 3-4, pp. 323-342

  2. Ab initio-gradient optimized molecular geometry and conformational analysis of 2-methoxyethanol at the 4-21G level

    Journal of Molecular Structure: THEOCHEM, Vol. 188, Núm. 1-2, pp. 95-104