| 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 | 410 | 2020 |
| 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 | 140 | 2023 |
| UV-Light-Induced Vibrational Coherences: The Key to Understand Kasha Rule Violation in trans-Azobenzene A Nenov, R Borrego-Varillas, A Oriana, L Ganzer, F Segatta, I Conti, ... The journal of physical chemistry letters 9 (7), 1534-1541, 2018 | 133 | 2018 |
| Quantum chemical modeling of the photoinduced activity of multichromophoric biosystems: focus review F Segatta, L Cupellini, M Garavelli, B Mennucci Chemical reviews 119 (16), 9361-9380, 2019 | 106 | 2019 |
| A quantum chemical interpretation of two-dimensional electronic spectroscopy of light-harvesting complexes F Segatta, L Cupellini, S Jurinovich, S Mukamel, M Dapor, S Taioli, ... Journal of the American Chemical Society 139 (22), 7558-7567, 2017 | 87 | 2017 |
| Imaging conical intersection dynamics during azobenzene photoisomerization by ultrafast X-ray diffraction D Keefer, F Aleotti, JR Rouxel, F Segatta, B Gu, A Nenov, M Garavelli, ... Proceedings of the National Academy of Sciences 118 (3), e2022037118, 2021 | 48 | 2021 |
| Semiclassical path integral calculation of nonlinear optical spectroscopy J Provazza, F Segatta, M Garavelli, DF Coker Journal of chemical theory and computation 14 (2), 856-866, 2018 | 47 | 2018 |
| Modeling multidimensional spectral lineshapes from first principles: application to water-solvated adenine J Segarra-Martí, F Segatta, TA Mackenzie, A Nenov, I Rivalta, ... Faraday discussions 221, 219-244, 2020 | 38 | 2020 |
| Exploring the capabilities of optical pump X-ray probe NEXAFS spectroscopy to track photo-induced dynamics mediated by conical intersections F Segatta, A Nenov, S Orlandi, A Arcioni, S Mukamel, M Garavelli Faraday Discussions 221, 245-264, 2020 | 32 | 2020 |
| Soft X-ray spectroscopy simulations with multiconfigurational wave function theory: Spectrum completeness, sub-eV accuracy, and quantitative reproduction of line shapes F Montorsi, F Segatta, A Nenov, S Mukamel, M Garavelli Journal of Chemical Theory and Computation 18 (2), 1003-1016, 2022 | 24 | 2022 |
| Predicting charge mobility of organic semiconductors with complex morphology F Segatta, G Lattanzi, P Faccioli Macromolecules 51 (21), 9060-9068, 2018 | 24 | 2018 |
| Conical intersection passages of molecules probed by X-ray diffraction and stimulated Raman spectroscopy Y Nam, D Keefer, A Nenov, I Conti, F Aleotti, F Segatta, JY Lee, ... The Journal of Physical Chemistry Letters 12 (51), 12300-12309, 2021 | 23 | 2021 |
| iSPECTRON: A simulation interface for linear and nonlinear spectra with ab‐initio quantum chemistry software F Segatta, A Nenov, DR Nascimento, N Govind, S Mukamel, M Garavelli Journal of Computational Chemistry 42 (9), 644-659, 2021 | 21 | 2021 |
| Manipulating core excitations in molecules by x-ray cavities B Gu, A Nenov, F Segatta, M Garavelli, S Mukamel Physical review letters 126 (5), 053201, 2021 | 21 | 2021 |
| X-ray linear and non-linear spectroscopy of the ESCA molecule A Nenov, F Segatta, A Bruner, S Mukamel, M Garavelli The Journal of Chemical Physics 151 (11), 2019 | 21 | 2019 |
| Unveiling the spatial distribution of molecular coherences at conical intersections by covariance X-ray diffraction signals SM Cavaletto, D Keefer, JR Rouxel, F Aleotti, F Segatta, M Garavelli, ... Proceedings of the National Academy of Sciences 118 (22), e2105046118, 2021 | 19 | 2021 |
| Modeling nonperturbative field-driven vibronic dynamics: selective state preparation and nonlinear spectroscopy J Provazza, F Segatta, DF Coker Journal of Chemical Theory and Computation 17 (1), 29-39, 2020 | 19 | 2020 |
| Diffractive imaging of conical intersections amplified by resonant infrared fields D Keefer, JR Rouxel, F Aleotti, F Segatta, M Garavelli, S Mukamel Journal of the American Chemical Society 143 (34), 13806-13815, 2021 | 14 | 2021 |
| Nonlinear molecular electronic spectroscopy via mctdh quantum dynamics: From exact to approximate expressions F Segatta, DA Ruiz, F Aleotti, M Yaghoubi, S Mukamel, M Garavelli, ... Journal of chemical theory and computation 19 (7), 2075-2091, 2023 | 13 | 2023 |
| In Silico Ultrafast Nonlinear Spectroscopy Meets Experiments: The Case of Perylene Bisimide Dye F Segatta, M Russo, DR Nascimento, D Presti, F Rigodanza, A Nenov, ... Journal of chemical theory and computation 17 (11), 7134-7145, 2021 | 10 | 2021 |
Marco GaravelliDipartimento di Chimica Industriale "T. Montanari", BolognaПодтвержден адрес электронной почты в домене unibo.it
