All Stories

  1. Modern quantum chemistry with [Open]Molcas

    Article • The Journal of Chemical Physics, June 2020, American Institute of Physics

    Veniamin Borin, Professor Nicolas Ferré, Michael Odelius, Thomas Pedersen, Markus Reiher, Luis Seijo, valera veryazov, irene conti, Igor Schapiro, Dr. Dumitru-Claudiu Sergentu

  2. Analytic QM/MM atomic charge derivatives avoiding the scaling of coupled perturbed equations with the MM subsystem size

    Article • The Journal of Chemical Physics, July 2019, American Institute of Physics

    Professor Nicolas Ferré

  3. Analysis of the Magnetic Exchange Interaction in Halide-Bridged Cu(II) Binuclear Complexes: Deciphering the Paths

    Article • Current Inorganic Chemistry, February 2014, Bentham Science Publishers

    Professor Nicolas Ferré

  4. Theoretical study of the photochemical generation of triplet acetophenone

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Professor Nicolas Ferré

  5. Complete-active-space self-consistent-field/Amber parameterization of the Lys296?retinal?Glu113 rhodopsin chromophore-counterion system

    Article • Theoretical Chemistry Accounts, July 2004, Springer Science + Business Media

    Professor Nicolas Ferré

  6. Complete-active-space self-consistent-field/Amber parameterization of the Lys296?retinal?Glu113 rhodopsin chromophore-counterion system

    Article • Theoretical Chemistry Accounts, July 2004, Springer Science + Business Media

    Professor Nicolas Ferré

  7. Electrostatic interactions in peptides. Polarisation effects due to an α-helix

    Article • Theoretical Chemistry Accounts, January 2004, Springer Science + Business Media

    Professor Nicolas Ferré

  8. Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins

    Article • Faraday Discussions, January 2004, Royal Society of Chemistry

    Professor Nicolas Ferré

  9. Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method

    Article • Journal of Computational Chemistry, March 2002, Wiley

    Professor Nicolas Ferré