| Progress in time-dependent density-functional theory ME Casida, M Huix-Rotllant Annual review of physical chemistry 63, 287-323, 2012 | 899 | 2012 |
| 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 | 191 | 2014 |
| First-Principles Quantum Dynamics of Singlet Fission: Coherent versus Thermally Activated Mechanisms Governed by Molecular Stacking H Tamura, M Huix-Rotllant, I Burghardt, Y Olivier, D Beljonne Physical review letters 115 (10), 107401, 2015 | 164 | 2015 |
| Density-functional methods for excited states N Ferré, M Filatov, M Huix-Rotllant Springer International Publishing 368, 487, 2016 | 132 | 2016 |
| Assessment of noncollinear spin-flip Tamm–Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane M Huix-Rotllant, B Natarajan, A Ipatov, CM Wawire, T Deutsch, ... Physical Chemistry Chemical Physics 12 (39), 12811-12825, 2010 | 127 | 2010 |
| Assessment of density functional theory for describing the correlation effects on the ground and excited state potential energy surfaces of a retinal chromophore model M Huix-Rotllant, M Filatov, S Gozem, I Schapiro, M Olivucci, N Ferré Journal of chemical theory and computation 9 (9), 3917-3932, 2013 | 104 | 2013 |
| Assessment of dressed time-dependent density-functional theory for the low-lying valence states of 28 organic chromophores M Huix-Rotllant, A Ipatov, A Rubio, ME Casida Chemical Physics 391 (1), 120-129, 2011 | 94 | 2011 |
| Assessment of approximate computational methods for conical intersections and branching plane vectors in organic molecules A Nikiforov, JA Gamez, W Thiel, M Huix-Rotllant, M Filatov The Journal of chemical physics 141 (12), 2014 | 88 | 2014 |
| Concurrent effects of delocalization and internal conversion tune charge separation at regioregular polythiophene–fullerene heterojunctions M Huix-Rotllant, H Tamura, I Burghardt The journal of physical chemistry letters 6 (9), 1702-1708, 2015 | 87 | 2015 |
| 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, 2023 | 53 | 2023 |
| Ensemble density functional theory method correctly describes bond dissociation, excited state electron transfer, and double excitations M Filatov, M Huix-Rotllant, I Burghardt The Journal of chemical physics 142 (18), 184104, 2015 | 51 | 2015 |
| Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics K Falahati, H Tamura, I Burghardt, M Huix-Rotllant Nature Communications 9 (1), 4502, 2018 | 50 | 2018 |
| UV-visible absorption spectrum of FAD and its reduced forms embedded in a cryptochrome protein K Schwinn, N Ferré, M Huix-Rotllant Physical Chemistry Chemical Physics 22 (22), 12447-12455, 2020 | 48 | 2020 |
| Many-body perturbation theory (MBPT) and time-dependent density-functional theory (TD-DFT): MBPT insights about what is missing in, and corrections to, the TD-DFT adiabatic … ME Casida, M Huix-Rotllant Density-Functional Methods for Excited States, 1-60, 2016 | 41 | 2016 |
| Stabilization of mixed Frenkel-charge transfer excitons extended across both strands of guanine–cytosine DNA duplexes M Huix-Rotllant, J Brazard, R Improta, I Burghardt, D Markovitsi The journal of physical chemistry letters 6 (12), 2247-2251, 2015 | 38 | 2015 |
| Assessment of density functional theory based ΔSCF (self-consistent field) and linear response methods for longest wavelength excited states of extended π-conjugated molecular … M Filatov, M Huix-Rotllant The Journal of Chemical Physics 141 (2), 024112, 2014 | 38 | 2014 |
| Description of conical intersections with density functional methods M Huix-Rotllant, A Nikiforov, W Thiel, M Filatov Density-functional methods for excited states, 445-476, 2016 | 34 | 2016 |
| Impact of the Dynamic Electron Correlation on the Unusually Long Excited-State Lifetime of Thymine W Park, S Lee, M Huix-Rotllant, M Filatov, CH Choi The Journal of Physical Chemistry Letters 12 (18), 4339-4346, 2021 | 31 | 2021 |
| High‐Energy Long‐Lived Mixed Frenkel–Charge‐Transfer Excitons: From Double Stranded (AT) n to Natural DNA I Vayá, J Brazard, M Huix‐Rotllant, AK Thazhathveetil, FD Lewis, ... Chemistry–A European Journal 22 (14), 4904-4914, 2016 | 30 | 2016 |
| Theoretical study of the photochemical generation of triplet acetophenone M Huix-Rotllant, D Siri, N Ferré Physical Chemistry Chemical Physics 15 (44), 19293-19300, 2013 | 30 | 2013 |
Nicolas FerréAix-Marseille UniversitéVerified email at univ-amu.fr
