Publicaciones en colaboración con investigadores/as de Universidad Autónoma de Madrid (34)

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

2007

  1. Experimental and DFT studies on the transmission mechanisms of analogous NMR JCH and JCC couplings in 1-X- and 1-X-3- methylbicyclo[1.1.1]-pentanes

    Magnetic Resonance in Chemistry, Vol. 45, Núm. 7, pp. 572-577

2006

  1. Experimental and theoretical study of hyperconjugative interaction effects on NMR1JCH scalar couplings

    Journal of Physical Chemistry A, Vol. 110, Núm. 12, pp. 4266-4275

  2. Transmission mechanisms of NMR long-range J(13C,19F) scalar couplings in 1-F,4-X-cubanes: A DFT and experimental study

    Molecular Physics, Vol. 104, Núm. 4, pp. 485-492

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

2004

  1. Influence of σ-hyperconjugative interactions on 13C substituent chemical shifts: Experimental and theoretical study in 1-X,3-CH 3-bicyclo[1.1.1]pentanes

    Magnetic Resonance in Chemistry, Vol. 42, Núm. SPL.ISS.1

  2. NMR J(C,C) scalar coupling analysis of the effects of substituents on the keto-enol tautomeric equilibrium in 2-OH-n-X-pyridines. An experimental and DFT study

    Molecular Physics, Vol. 102, Núm. 23-24, pp. 2607-2615

  3. Substituent effects on scalar J(13C, 13C) couplings in pyrimidines. An experimental and DFT study

    Magnetic Resonance in Chemistry, Vol. 42, Núm. 11, pp. 938-943

2003

  1. Solvent effects on nuclear magnetic resonance 2J(C,Hf) and 1J(C,Hf) spin-spin coupling constantsinacetaldehyde

    International Journal of Molecular Sciences, Vol. 4, Núm. 3, pp. 93-106

  2. The spin—orbit/Fermi contact effect on 13C substituent chemical shifts in 1-halo-bicyclo[1.1.1]pentanes

    Molecular Physics, Vol. 101, Núm. 9, pp. 1297-1301

2002

  1. Spin-spin coupling constants in ethylene: Equilibrium values

    Chemical Physics Letters, Vol. 361, Núm. 1-2, pp. 159-168

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

1999

  1. Intramolecular electric field effect on a 1J(C,H) NMR spin-spin coupling constant. An experimental and theoretical study

    Magnetic Resonance in Chemistry, Vol. 37, Núm. 3, pp. 227-231

1998

  1. Conformational effects on 13C NMR parameters in alkyl formates

    Magnetic Resonance in Chemistry, Vol. 36, Núm. 5, pp. 336-342

1997

  1. Solvent Effects on Oxygen-17 Chemical Shifts in Amides. Quantitative Linear Solvation Shift Relationships

    Journal of Magnetic Resonance, Vol. 124, Núm. 1, pp. 8-19

1996

  1. Carbonyl 17O chemical shift in the proximity of a methyl group in amides: An experimental and theoretical study

    Magnetic Resonance in Chemistry, Vol. 34, Núm. 6, pp. 447-452

1994

  1. Methoxy group conformation effects on 13C NMR parameters in 1‐cis‐methoxy‐ and 1‐trans‐methoxy‐1,3‐trans‐butadiene

    Magnetic Resonance in Chemistry, Vol. 32, Núm. 4, pp. 199-204