Publicaciones en las que colabora con José Manuel García de la Vega (9)

2015

  1. Complexes of nitric oxide with water and imidazole

    Theoretical Chemistry Accounts, Vol. 134, Núm. 7

2013

  1. Computational NMR coupling constants: Shifting and scaling factors for evaluating 1JCH

    Magnetic Resonance in Chemistry, Vol. 51, Núm. 12, pp. 775-787

  2. Theoretical DFT karplus equations: Amino acid side-chain torsion angle χ1

    International Journal of Quantum Chemistry

2011

  1. Communication: Accurate determination of side-chain torsion angle 1 in proteins: Phenylalanine residues

    Journal of Chemical Physics, Vol. 134, Núm. 6

2009

  1. Theoretical study of imidazole⋯no complexes

    Journal of Physical Chemistry A, Vol. 113, Núm. 52, pp. 14595-14605

2008

  1. Approximating correlation effects in multiconfigurational self-consistent field calculations of spin-spin coupling constants

    Journal of Chemical Physics, Vol. 128, Núm. 8

  2. Influence of density functionals and basis sets on one-bond carbon-carbon NMR spin-spin coupling constants

    Journal of Chemical Theory and Computation, Vol. 4, Núm. 3, pp. 448-456

2007

  1. Potential energy surfaces and Jahn-Teller effect on C H4 ...NO complexes

    Journal of Chemical Physics, Vol. 127, Núm. 10

  2. Theoretical Karplus relationships for vicinal coupling constants around χ1 in Valine

    Chemical Physics Letters, Vol. 442, Núm. 1-3, pp. 119-123