| 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 | 1453 | 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 | 724 | 2019 |
| Excitation of nucleobases from a computational perspective I: reaction paths A Giussani, J Segarra-Marti, D Roca-Sanjuán, M Merchan Photoinduced Phenomena in Nucleic Acids I: Nucleobases in the Gas Phase and …, 2015 | 85 | 2015 |
| Essential on the photophysics and photochemistry of the indole chromophore by using a totally unconstrained theoretical approach A Giussani, M Merchan, D Roca-Sanjuan, R Lindh Journal of chemical theory and computation 7 (12), 4088-4096, 2011 | 61 | 2011 |
| Molecular basis of the chemiluminescence mechanism of luminol A Giussani, P Farahani, D Martínez‐Muñoz, M Lundberg, R Lindh, ... Chemistry–A European Journal 25 (20), 5202-5213, 2019 | 58 | 2019 |
| Photoinduced formation mechanism of the thymine–thymine (6–4) adduct A Giussani, L Serrano-Andres, M Merchan, D Roca-Sanjuan, M Garavelli The Journal of Physical Chemistry B 117 (7), 1999-2004, 2013 | 54 | 2013 |
| Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy A Nenov, A Giussani, J Segarra-Martí, VK Jaiswal, I Rivalta, G Cerullo, ... The Journal of Chemical Physics 142 (21), 2015 | 48 | 2015 |
| Spectral lineshapes in nonlinear electronic spectroscopy A Nenov, A Giussani, BP Fingerhut, I Rivalta, E Dumont, S Mukamel, ... Physical Chemistry Chemical Physics 17 (46), 30925-30936, 2015 | 45 | 2015 |
| Insights into the complex photophysics and photochemistry of the simplest nitroaromatic compound: A CASPT2//CASSCF study on nitrobenzene A Giussani, GA Worth Journal of Chemical Theory and Computation 13 (6), 2777-2788, 2017 | 41 | 2017 |
| Pyrene, a test case for deep-ultraviolet molecular photophysics A Picchiotti, A Nenov, A Giussani, VI Prokhorenko, RJD Miller, S Mukamel, ... The Journal of Physical Chemistry Letters 10 (12), 3481-3487, 2019 | 34 | 2019 |
| Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations A Nenov, J Segarra-Martí, A Giussani, I Conti, I Rivalta, E Dumont, ... Faraday discussions 177, 345-362, 2015 | 33 | 2015 |
| Toward the understanding of the photophysics and photochemistry of 1-nitronaphthalene under solar radiation: the first theoretical evidence of a photodegradation intramolecular … A Giussani Journal of Chemical Theory and Computation 10 (9), 3987-3995, 2014 | 33 | 2014 |
| Multiple Decay Mechanisms and 2D‐UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine‐Uracil Monophosphate Q Li, A Giussani, J Segarra‐Martí, A Nenov, I Rivalta, AA Voityuk, ... Chemistry–A European Journal 22 (22), 7497-7507, 2016 | 32 | 2016 |
| Spectroscopic fingerprints of DNA/RNA pyrimidine nucleobases in third-order nonlinear electronic spectra A Giussani, J Segarra-Martí, A Nenov, I Rivalta, A Tolomelli, S Mukamel, ... Theoretical Chemistry Accounts 135, 1-18, 2016 | 31 | 2016 |
| Relaxation mechanisms of 5-azacytosine A Giussani, M Merchan, JP Gobbo, AC Borin Journal of Chemical Theory and Computation 10 (9), 3915-3924, 2014 | 27 | 2014 |
| Photoinduced formation mechanism of the thymine–thymine (6–4) adduct in DNA; a QM (CASPT2//CASSCF): MM (AMBER) study A Giussani, I Conti, A Nenov, M Garavelli Faraday discussions 207, 375-387, 2018 | 25 | 2018 |
| Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates J Segarra-Martí, VK Jaiswal, AJ Pepino, A Giussani, A Nenov, S Mukamel, ... Faraday Discussions 207, 233-250, 2018 | 23 | 2018 |
| Building a Functionalizable, Potent Chemiluminescent Agent: A Rational Design Study on 6, 8-Substituted Luminol Derivatives T Mikroulis, MC Cuquerella, A Giussani, A Pantelia, GM Rodriguez-Muniz, ... The Journal of Organic Chemistry 86 (17), 11388-11398, 2021 | 17 | 2021 |
| How important is roaming in the photodegradation of nitrobenzene? A Giussani, GA Worth Physical Chemistry Chemical Physics 22 (28), 15945-15952, 2020 | 16 | 2020 |
| Induced night vision by singlet-oxygen-mediated activation of rhodopsin M Marazzi, H Gattuso, A Giussani, H Zhang, M Navarrete-Miguel, ... The Journal of Physical Chemistry Letters 10 (22), 7133-7140, 2019 | 16 | 2019 |
