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Nicolas Ferré

Showing results (11-20 of 91) with videos related to

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Proceedings of the National Academy of Sciences of the United States of America|December 18, 2004
Structure, initial excited-state relaxation, and energy storage of rhodopsin resolved at the multiconfigurational perturbation theory levelTadeusz Andruniów, Nicolas Ferré, Massimo Olivucci
Physical Chemistry Chemical Physics : PCCP|June 16, 2012
Quantum chemical modeling of rhodopsin mutants displaying switchable colorsFederico Melaccio, Nicolas Ferré, Massimo Olivucci
The Journal of Chemical Physics|August 3, 2019
Analytic QM/MM atomic charge derivatives avoiding the scaling of coupled perturbed equations with the MM subsystem sizeKarno Schwinn, Nicolas Ferré, Miquel Huix-Rotllant
Journal of Chemical Theory and Computation|December 8, 2022
Consistent Evaluation of Magnetic Exchange Couplings in Multicenter Compounds in KS-DFT: The Recomposition MethodGrégoire David, Nicolas Ferré, Boris Le Guennic
Physical Chemistry Chemical Physics : PCCP|May 28, 2020
UV-visible absorption spectrum of FAD and its reduced forms embedded in a cryptochrome proteinKarno Schwinn, Nicolas Ferré, Miquel Huix-Rotllant
The Journal of Chemical Physics|January 14, 2023
An efficient electrostatic embedding QM/MM method using periodic boundary conditions based on particle-mesh Ewald sums and electrostatic potential fitted charge operatorsSimone Bonfrate, Nicolas Ferré, Miquel Huix-Rotllant
Journal of Computational Chemistry|April 10, 2002
Specific force field parameters determination for the hybrid ab initio QM/MM LSCF methodNicolas Ferré, Xavier Assfeld, Jean-Louis Rivail
Journal of Chemical Information and Modeling|August 26, 2025
Efficient Free Energies from a Simplified Electrostatic Embedding QM/MM Approach Based on Electrostatic Potential Fitted OperatorsSimone Bonfrate, Nicolas Ferré, Miquel Huix-Rotllant
Physical Chemistry Chemical Physics : PCCP|February 19, 2015
Spin decontamination of broken-symmetry density functional theory calculations: deeper insight and new formulationsNicolas Ferré, Nathalie Guihéry, Jean-Paul Malrieu
Physical Chemistry Chemical Physics : PCCP|October 12, 2013
Theoretical study of the photochemical generation of triplet acetophenoneMiquel Huix-Rotllant, Didier Siri, Nicolas Ferré
Pageof 10

Showing results (11-20 of 91) with videos related to

Sort By:
Pageof 10
Proceedings of the National Academy of Sciences of the United States of America|December 18, 2004
Structure, initial excited-state relaxation, and energy storage of rhodopsin resolved at the multiconfigurational perturbation theory levelTadeusz Andruniów, Nicolas Ferré, Massimo Olivucci
Physical Chemistry Chemical Physics : PCCP|June 16, 2012
Quantum chemical modeling of rhodopsin mutants displaying switchable colorsFederico Melaccio, Nicolas Ferré, Massimo Olivucci
The Journal of Chemical Physics|August 3, 2019
Analytic QM/MM atomic charge derivatives avoiding the scaling of coupled perturbed equations with the MM subsystem sizeKarno Schwinn, Nicolas Ferré, Miquel Huix-Rotllant
Journal of Chemical Theory and Computation|December 8, 2022
Consistent Evaluation of Magnetic Exchange Couplings in Multicenter Compounds in KS-DFT: The Recomposition MethodGrégoire David, Nicolas Ferré, Boris Le Guennic
Physical Chemistry Chemical Physics : PCCP|May 28, 2020
UV-visible absorption spectrum of FAD and its reduced forms embedded in a cryptochrome proteinKarno Schwinn, Nicolas Ferré, Miquel Huix-Rotllant
The Journal of Chemical Physics|January 14, 2023
An efficient electrostatic embedding QM/MM method using periodic boundary conditions based on particle-mesh Ewald sums and electrostatic potential fitted charge operatorsSimone Bonfrate, Nicolas Ferré, Miquel Huix-Rotllant
Journal of Computational Chemistry|April 10, 2002
Specific force field parameters determination for the hybrid ab initio QM/MM LSCF methodNicolas Ferré, Xavier Assfeld, Jean-Louis Rivail
Journal of Chemical Information and Modeling|August 26, 2025
Efficient Free Energies from a Simplified Electrostatic Embedding QM/MM Approach Based on Electrostatic Potential Fitted OperatorsSimone Bonfrate, Nicolas Ferré, Miquel Huix-Rotllant
Physical Chemistry Chemical Physics : PCCP|February 19, 2015
Spin decontamination of broken-symmetry density functional theory calculations: deeper insight and new formulationsNicolas Ferré, Nathalie Guihéry, Jean-Paul Malrieu
Physical Chemistry Chemical Physics : PCCP|October 12, 2013
Theoretical study of the photochemical generation of triplet acetophenoneMiquel Huix-Rotllant, Didier Siri, Nicolas Ferré
Pageof 10