| 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 | 1734 | 2010 |
| 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 | 1598 | 2016 |
| 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), 2020 | 399 | 2020 |
| 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 | 327 | 2007 |
| 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 | 319 | 2018 |
| 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 | 279 | 2004 |
| 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 Ferre, ... Journal of chemical theory and computation 10 (8), 3074-3084, 2014 | 205 | 2014 |
| 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 | 200 | 2003 |
| 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 | 198 | 2011 |
| 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 | 177 | 2005 |
| 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 | 167 | 2002 |
| 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 | 166 | 2005 |
| 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 | 154 | 2011 |
| 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 | 146 | 2006 |
| Choosing the right molecular machine learning potential M Pinheiro, F Ge, N Ferré, PO Dral, M Barbatti Chemical Science 12 (43), 14396-14413, 2021 | 137 | 2021 |
| Density-functional methods for excited states N Ferré, M Filatov, M Huix-Rotllant, C Adamo Springer, 2016 | 137 | 2016 |
| 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 | 134 | 2010 |
| The molecular mechanism of thermal noise in rod photoreceptors S Gozem, I Schapiro, N Ferré, M Olivucci Science 337 (6099), 1225-1228, 2012 | 125 | 2012 |
| The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 19 (20), 6933-6991, 2023 | 119 | 2023 |
| 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 | 119 | 2008 |
Roland LindhProfessor in Theoretical Chemistry, Uppsala University, SwedenVerified email at kemi.uu.se
