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Claire Perez

  1. 2013
  2. Published

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

    J. San Fabián, J. M. García De La Vega, R. Suardíaz, M. Fernández-Oliva, Claire Perez, R. Crespo-Otero & R. H. Contreras, 1 Dec 2013, In : Magnetic Resonance in Chemistry. 51, 12, p. 775-787 13 p.

    Research output: Contribution to journalArticle

  3. Published

    Theoretical DFT karplus equations: amino acid side-chain torsion angle χ1

    J. M. García De La Vega, J. San Fabián, R. Crespo-Otero, R. Suardíaz & Claire Perez, 5 Mar 2013, In : International Journal of Quantum Chemistry. 113, 5, p. 656-660 5 p.

    Research output: Contribution to journalArticle

  4. 2011
  5. Published

    Communication: accurate determination of side-chain torsion angle 1 in proteins: phenylalanine residues

    R. Suardíaz, R. Crespo-Otero, Claire Perez, J. San Fabián & J. M. García De La Vega, 10 Feb 2011, In : Journal of Chemical Physics. 134, 6, 061101.

    Research output: Contribution to journalArticle

  6. 2010
  7. Published

    NMR spin-spin coupling constants and hyperconjugative interactions

    R. H. Contreras, R. Suardíaz, Claire Perez, R. Crespo-Otero, J. San Fabián & J. M. De La García Vega, 5 Mar 2010, In : International Journal of Quantum Chemistry. 110, 3, p. 532-539 8 p.

    Research output: Contribution to journalArticle

  8. 2008
  9. Published

    Karplus equation for3JHH spin-spin couplings with unusual3J(180°) < 3J(0°) relationship

    R. H. Contreras, R. Suardíaz, Claire Perez, R. Crespo-Otero, J. San Fabián & J. M. De La García Vega, 14 Aug 2008, In : Journal of Chemical Theory and Computation. 4, 9, p. 1494-1500 7 p.

    Research output: Contribution to journalArticle

  10. Published

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

    R. Suardíaz, Claire Perez, R. Crespo-Otero, José M. García De La Vega & Jesús San Fabián, 21 Feb 2008, In : Journal of Chemical Theory and Computation. 4, 3, p. 448-456 9 p.

    Research output: Contribution to journalArticle

ID: 14695857