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List of works by Jesús San Fabián

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

scientific article published on 28 February 2008

Communication: Accurate determination of side-chain torsion angle χ1 in proteins: phenylalanine residues.

scientific article published in February 2011

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

scientific article published on 10 October 2013

Improvements in DFT Calculations of Spin-Spin Coupling Constants

scientific article published on November 2014

Karplus Equation for (3)JHH Spin-Spin Couplings with Unusual (3)J(180°) < (3)J(0°) Relationship.

scientific article published in September 2008

Natural bond orbital/natural J-coupling study of vicinal couplings

scientific article published on 20 June 2014

On the unusual2JC2Hfcoupling dependence onsyn/antiCHO conformation in 5-X-furan-2-carboxaldehydes

scientific article published on 01 September 2008

Vicinal fluorine-fluorine coupling constants: Fourier analysis.

scientific article published in October 2004

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