| 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 | 1452 | 2016 |
| OpenMolcas: From source code to insight I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 15 (11), 5925-5964, 2019 | 721 | 2019 |
| 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 | 330 | 2020 |
| 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 | 191 | 2014 |
| Evidence for a vibrational phase-dependent isotope effect on the photochemistry of vision C Schnedermann, X Yang, M Liebel, KM Spillane, J Lugtenburg, ... Nature chemistry 10 (4), 449-455, 2018 | 87 | 2018 |
| Chiral hydrogen bond environment providing unidirectional rotation in photoactive molecular motors C Garcia-Iriepa, M Marazzi, F Zapata, A Valentini, D Sampedro, LM Frutos The journal of physical chemistry letters 4 (9), 1389-1396, 2013 | 65 | 2013 |
| Toward automatic rhodopsin modeling as a tool for high-throughput computational photobiology F Melaccio, M del Carmen Marín, A Valentini, F Montisci, S Rinaldi, ... Journal of Chemical Theory and Computation 12 (12), 6020-6034, 2016 | 64 | 2016 |
| Directionality of double-bond photoisomerization dynamics induced by a single stereogenic center G Marchand, J Eng, I Schapiro, A Valentini, LM Frutos, E Pieri, M Olivucci, ... The Journal of Physical Chemistry Letters 6 (4), 599-604, 2015 | 64 | 2015 |
| Probing the photodynamics of rhodopsins with reduced retinal chromophores M Manathunga, X Yang, HL Luk, S Gozem, LM Frutos, A Valentini, ... Journal of Chemical Theory and Computation 12 (2), 839-850, 2016 | 51 | 2016 |
| Fluorescence enhancement of a microbial rhodopsin via electronic reprogramming MC Marin, D Agathangelou, Y Orozco-Gonzalez, A Valentini, Y Kato, ... Journal of the American Chemical Society 141 (1), 262-271, 2018 | 41 | 2018 |
| Origin of Fluorescence in 11-cis Locked Bovine Rhodopsin EN Laricheva, S Gozem, S Rinaldi, F Melaccio, A Valentini, M Olivucci Journal of Chemical Theory and Computation 8 (8), 2559-2563, 2012 | 34 | 2012 |
| Galván and R. Lindh M Vacher, P Farahani, A Valentini, LM Frutos, HO Karlsson, I Fdez J. Chem. Theory Comput 13, 2448-2457, 2017 | 30 | 2017 |
| Selective bond formation triggered by short optical pulses: quantum dynamics of a four-center ring closure A Valentini, S van den Wildenberg, F Remacle Physical Chemistry Chemical Physics 22 (39), 22302-22313, 2020 | 28 | 2020 |
| Forensic interlaboratory evaluation of the ForFLUID kit for vaginal fluids identification S Giampaoli, F Alessandrini, A Berti, L Ripani, A Choi, R Crab, E De Vittori, ... Journal of forensic and legal medicine 21, 60-63, 2014 | 27 | 2014 |
| Optomechanical Control of Quantum Yield in Trans–Cis Ultrafast Photoisomerization of a Retinal Chromophore Model A Valentini, D Rivero, F Zapata, C García‐Iriepa, M Marazzi, R Palmeiro, ... Angewandte Chemie International Edition 56 (14), 3842-3846, 2017 | 25 | 2017 |
| InteraChem: virtual reality visualizer for reactive interactive molecular dynamics S Seritan, Y Wang, JE Ford, A Valentini, T Gold, TJ Martínez Journal of Chemical Education 98 (11), 3486-3492, 2021 | 24 | 2021 |
| How do methyl groups enhance the triplet chemiexcitation yield of dioxetane? M Vacher, P Farahani, A Valentini, LM Frutos, HO Karlsson, ... The Journal of Physical Chemistry Letters 8 (16), 3790-3794, 2017 | 16 | 2017 |
| Web-ARM: a web-based interface for the automatic construction of QM/MM models of rhodopsins L Pedraza-González, MDC Marín, AN Jorge, TD Ruck, X Yang, ... Journal of chemical information and modeling 60 (3), 1481-1493, 2020 | 15 | 2020 |
| Voice-controlled quantum chemistry U Raucci, A Valentini, E Pieri, H Weir, S Seritan, TJ Martínez Nature Computational Science 1 (1), 42-45, 2021 | 14 | 2021 |
| MOLCAS 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table L De Vico, I Fdez, NF Galván, LM Frutos, L Gagliardi, M Garavelli, ... J. Comput. Chem 37, 506-541, 2016 | 14 | 2016 |
