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Nicolas Ferré
Nicolas Ferré
Verified email at univ-amu.fr - Homepage
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MOLCAS 7: the next generation
F Aquilante, L De Vico, N Ferré, G Ghigo, P Malmqvist, P Neogrády, ...
Journal of computational chemistry 31 (1), 224-247, 2010
16652010
Time‐dependent density functional theory
M Huix‐Rotllant, N Ferré, M Barbatti
Quantum Chemistry and Dynamics of Excited States: Methods and Applications …, 2020
12682020
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Journal of computational chemistry 37 (5), 506-541, 2016
12412016
Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry
LM Frutos, T Andruniów, F Santoro, N Ferré, M Olivucci
Proceedings of the National Academy of Sciences 104 (19), 7764-7769, 2007
2932007
Structure, initial excited-state relaxation, and energy storage of rhodopsin resolved at the multiconfigurational perturbation theory level
T Andruniów, N Ferré, M Olivucci
Proceedings of the National Academy of Sciences 101 (52), 17908-17913, 2004
2622004
Chemi-and bioluminescence of cyclic peroxides
M Vacher, I Fdez. Galván, BW Ding, S Schramm, R Berraud-Pache, ...
Chemical reviews 118 (15), 6927-6974, 2018
1972018
Probing the rhodopsin cavity with reduced retinal models at the CASPT2//CASSCF/AMBER level of theory
N Ferré, M Olivucci
Journal of the American Chemical Society 125 (23), 6868-6869, 2003
1842003
The ultrafast photoisomerizations of rhodopsin and bathorhodopsin are modulated by bond length alternation and HOOP driven electronic effects
I Schapiro, MN Ryazantsev, LM Frutos, N Ferré, R Lindh, M Olivucci
Journal of the American Chemical Society 133 (10), 3354-3364, 2011
1732011
Properties of the emitting state of the green fluorescent protein resolved at the CASPT2//CASSCF/CHARMM level
A Sinicropi, T Andruniow, N Ferré, R Basosi, M Olivucci
Journal of the American Chemical Society 127 (33), 11534-11535, 2005
1682005
Shape of multireference, equation-of-motion coupled-cluster, and density functional theory potential energy surfaces at a conical intersection
S Gozem, F Melaccio, A Valentini, M Filatov, M Huix-Rotllant, N Ferré, ...
Journal of chemical theory and computation 10 (8), 3074-3084, 2014
1602014
Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method
N Ferré, X Assfeld, JL Rivail
Journal of computational chemistry 23 (6), 610-624, 2002
1572002
Modern quantum chemistry with [Open] Molcas
F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ...
The Journal of chemical physics 152 (21), 214117, 2020
1372020
The color of rhodopsins at the ab initio multiconfigurational perturbation theory resolution
PB Coto, A Strambi, N Ferré, M Olivucci
Proceedings of the National Academy of Sciences 103 (46), 17154-17159, 2006
1372006
Color-tuning mechanism of firefly investigated by multi-configurational perturbation method
I Navizet, YJ Liu, N Ferré, HY Xiao, WH Fang, R Lindh
Journal of the American Chemical Society 132 (2), 706-712, 2010
1242010
The chemistry of bioluminescence: an analysis of chemical functionalities
I Navizet, YJ Liu, N Ferré, D Roca‐Sanjuán, R Lindh
ChemPhysChem 12 (17), 3064-3076, 2011
1202011
Assignment of the EPR spectrum of 5, 5-dimethyl-1-pyrroline N-oxide (DMPO) superoxide spin adduct
JL Clément, N Ferré, D Siri, H Karoui, A Rockenbauer, P Tordo
The Journal of organic chemistry 70 (4), 1198-1203, 2005
1072005
The molecular mechanism of thermal noise in rod photoreceptors
S Gozem, I Schapiro, N Ferré, M Olivucci
Science 337 (6099), 1225-1228, 2012
1042012
The molecular mechanism of thermal noise in rod photoreceptors
S Gozem, I Schapiro, N Ferré, M Olivucci
Science 337 (6099), 1225-1228, 2012
1042012
An artificial molecular switch that mimics the visual pigment and completes its photocycle in picoseconds
A Sinicropi, E Martin, M Ryazantsev, J Helbing, J Briand, D Sharma, ...
Proceedings of the National Academy of Sciences 105 (46), 17642-17647, 2008
1042008
Approximate electrostatic interaction operator for QM/MM calculations
N Ferré, JG Ángyán
Chemical physics letters 356 (3-4), 331-339, 2002
1002002
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