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Topics in Current Chemistry
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December 4, 2015
Preface
Nicolas Ferré
The Journal of Physical Chemistry. B
|
May 6, 2011
Geometrical embedding governs a dramatic variation of electron paramagnetic resonance hyperfine coupling constants of disulfide radical anions
Elise Dumont, Nicolas Ferré
Journal of the American Chemical Society
|
June 5, 2003
Probing the rhodopsin cavity with reduced retinal models at the CASPT2//CASSCF/AMBER level of theory
Nicolas Ferré, Massimo Olivucci
Journal of Chemical Theory and Computation
|
December 7, 2020
Analytic Energy, Gradient, and Hessian of Electrostatic Embedding QM/MM Based on Electrostatic Potential-Fitted Atomic Charges Scaling Linearly with the MM Subsystem Size
Miquel Huix-Rotllant, Nicolas Ferré
Journal of Chemical Theory and Computation
|
September 20, 2016
An Effective Procedure for Analyzing Molecular Vibrations in Terms of Local Fragment Modes
Miquel Huix-Rotllant, Nicolas Ferré
The Journal of Chemical Physics
|
April 10, 2014
Triplet state photochemistry and the three-state crossing of acetophenone within time-dependent density-functional theory
Miquel Huix-Rotllant, Nicolas Ferré
The Journal of Physical Chemistry. B
|
August 14, 2025
Tribute to Massimo Olivucci
Nicolas Ferré, Laura Pedraza-González
The Journal of Physical Chemistry. A
|
June 13, 2014
Theoretical study of the photochemical initiation in nitroxide-mediated photopolymerization
Miquel Huix-Rotllant, Nicolas Ferré
Journal of Chemical Theory and Computation
|
October 18, 2017
What Are the Physical Contents of Hubbard and Heisenberg Hamiltonian Interactions Extracted from Broken Symmetry DFT Calculations in Magnetic Compounds?
Grégoire David, Nathalie Guihéry, Nicolas Ferré
The Journal of Chemical Physics
|
October 5, 2010
Structural and atoms-in-molecules analysis of hydrogen-bond network around nitroxides in liquid water
Céline Houriez, Michel Masella, Nicolas Ferré
Page
of 10
Search research articles
Search
Showing results (1-10 of 91) with videos related to
Sort By:
Page
of 10
Topics in Current Chemistry
|
December 4, 2015
Preface
Nicolas Ferré
The Journal of Physical Chemistry. B
|
May 6, 2011
Geometrical embedding governs a dramatic variation of electron paramagnetic resonance hyperfine coupling constants of disulfide radical anions
Elise Dumont, Nicolas Ferré
Journal of the American Chemical Society
|
June 5, 2003
Probing the rhodopsin cavity with reduced retinal models at the CASPT2//CASSCF/AMBER level of theory
Nicolas Ferré, Massimo Olivucci
Journal of Chemical Theory and Computation
|
December 7, 2020
Analytic Energy, Gradient, and Hessian of Electrostatic Embedding QM/MM Based on Electrostatic Potential-Fitted Atomic Charges Scaling Linearly with the MM Subsystem Size
Miquel Huix-Rotllant, Nicolas Ferré
Journal of Chemical Theory and Computation
|
September 20, 2016
An Effective Procedure for Analyzing Molecular Vibrations in Terms of Local Fragment Modes
Miquel Huix-Rotllant, Nicolas Ferré
The Journal of Chemical Physics
|
April 10, 2014
Triplet state photochemistry and the three-state crossing of acetophenone within time-dependent density-functional theory
Miquel Huix-Rotllant, Nicolas Ferré
The Journal of Physical Chemistry. B
|
August 14, 2025
Tribute to Massimo Olivucci
Nicolas Ferré, Laura Pedraza-González
The Journal of Physical Chemistry. A
|
June 13, 2014
Theoretical study of the photochemical initiation in nitroxide-mediated photopolymerization
Miquel Huix-Rotllant, Nicolas Ferré
Journal of Chemical Theory and Computation
|
October 18, 2017
What Are the Physical Contents of Hubbard and Heisenberg Hamiltonian Interactions Extracted from Broken Symmetry DFT Calculations in Magnetic Compounds?
Grégoire David, Nathalie Guihéry, Nicolas Ferré
The Journal of Chemical Physics
|
October 5, 2010
Structural and atoms-in-molecules analysis of hydrogen-bond network around nitroxides in liquid water
Céline Houriez, Michel Masella, Nicolas Ferré
Page
of 10