Publicaciones en las que colabora con Jesús San Fabián Maroto (12)

2014

  1. Intramolecular surfaces for vicinal proton-proton coupling constants 3 J HH

    Molecular Physics, Vol. 112, Núm. 16, pp. 2138-2154

2010

  1. Vibrational contributions to vicinal proton-proton coupling constants3JHH

    Molecular Physics, Vol. 108, Núm. 5, pp. 583-595

2005

  1. Prediction of vicinal proton-proton coupling constants 3J HH from density functional theory calculations

    Molecular Physics, Vol. 103, Núm. 9, pp. 1307-1326

2001

  1. NMR spin-spin coupling constants in water molecule: Equilibrium and rovibrational values

    Journal of Molecular Structure

  2. Solvent effects on oxygen-17 chemical shifts in methyl formate: Linear solvation shift relationships

    Journal of Magnetic Resonance, Vol. 148, Núm. 1, pp. 1-10

  3. Vicinal NMR proton - Proton coupling constants. An NBO analysis

    Journal of Physical Chemistry A, Vol. 105, Núm. 21, pp. 5298-5303

1994

  1. Relationships between torsional angles and ring-puckering coordinates. 5. Application to six-membered rings

    Journal of Physical Chemistry, Vol. 98, Núm. 41, pp. 10440-10446

1990

  1. Dependence of the dipolar couplings of tetrahydrofuran on the pseudorotation parameters

    Molecular Physics, Vol. 69, Núm. 3, pp. 429-442

1989

  1. Long‐Range proton‐proton coupling constants. I. Propanic coupling involving a methyl group 4JMeH

    Journal of Computational Chemistry, Vol. 10, Núm. 7, pp. 887-895

  2. Vicinal proton-proton coupling constants II. Analysis of the effect of interaction between geminal substituents upon vicinal couplings to methyl groups

    Molecular Physics, Vol. 68, Núm. 1, pp. 65-85

1988

  1. Effect of the substituents on the conformational behavior of five‐membered rings: Application to the cis‐ and trans‐2,5‐dimethoxytetrahydrofuran

    Journal of Computational Chemistry, Vol. 9, Núm. 3, pp. 189-199

1986

  1. NMR study of tetrahydrofuran oriented in a nematic phase

    Journal of Molecular Structure, Vol. 142, Núm. C, pp. 375-378