Avagliano D.; Bonfanti M.; Garavelli M.; Gonzalez L., QM/MM Nonadiabatic Dynamics: The SHARC/COBRAMM Approach, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2021, 17, pp. 4639 - 4647 [articolo]Open Access
Keshk R.M.; Garavelli M.; El-Tahawy M.M.T., Synthesis, physicochemical and vibrational spectral properties of 2–pyridone and 2–aminopyridine derivatives: An experimental and theoretical study, «JOURNAL OF MOLECULAR STRUCTURE», 2021, 1225, Article number: 129136, pp. 1 - 13 [articolo]Open Access
Gualandi A.; Nenov A.; Marchini M.; Rodeghiero G.; Conti I.; Paltanin E.; Balletti M.; Ceroni P.; Garavelli M.; Cozzi P.G., Tailored Coumarin Dyes for Photoredox Catalysis: Calculation, Synthesis, and Electronic Properties, «CHEMCATCHEM», 2021, 13, pp. 981 - 989 [articolo]Open Access
Kabacinski P.; Jaiswal V.K.; Borrego-Varillas R.; Nogueira De Faria B.E.; Gentile M.G.; Conti I.; De Silvestri S.; Garavelli M.; De Paula A.M.; Cerullo G., Tracking Conical Intersection Dynamics of Tryptophan with Sub-20-fs UV Pulses, in: 2021 Conference on Lasers and Electro-Optics Europe and European Quantum Electronics Conference, CLEO/Europe-EQEC 2021, Institute of Electrical and Electronics Engineers Inc., 2021, pp. 1 - 1 (atti di: 2021 Conference on Lasers and Electro-Optics Europe and European Quantum Electronics Conference, CLEO/Europe-EQEC 2021, deu, 2021) [Contributo in Atti di convegno]
Kabacinski P.; Jaiswal V.K.; Borrego-Varillas R.; Nogueira de Faria B.E.; Gentile M.G.; Conti I.; de Silvestri S.; Garavelli M.; de Paula A.M.; Cerullo G., Tracking conical intersection dynamics of tryptophan with sub-20-fs UV pulses, in: Optics InfoBase Conference Papers, The Optical Society, 2021, pp. 1 - 2 (atti di: 2021 European Conference on Lasers and Electro-Optics, CLEO/Europe 2021, deu, 2021) [Contributo in Atti di convegno]
Borrego-Varillas R.; Nenov A.; Kabacinski P.; Conti I.; Ganzer L.; Oriana A.; Jaiswal V.K.; Delfino I.; Weingart O.; Manzoni C.; Rivalta I.; Garavelli M.; Cerullo G., Tracking excited state decay mechanisms of pyrimidine nucleosides in real time, «NATURE COMMUNICATIONS», 2021, 12, Article number: 7285, pp. 1 - 7 [articolo]Open Access
Kabaciński, Piotr; Romanelli, Marco; Ponkkonen, Eveliina; Jaiswal, Vishal Kumar; Carell, Thomas; Garavelli, Marco; Cerullo, Giulio; Conti, Irene, Unified Description of Ultrafast Excited State Decay Processes in Epigenetic Deoxycytidine Derivatives, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2021, 12, pp. 11070 - 11077 [articolo]Open Access
Cavaletto S.M.; Keefer D.; Rouxel J.R.; Aleotti F.; Segatta F.; Garavelli M.; Mukamel S., Unveiling the spatial distribution of molecular coherences at conical intersections by covariance X-ray diffraction signals, «PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA», 2021, 118, Article number: e2105046118, pp. 1 - 8 [articolo]Open Access
Cerullo G.; Garavelli M., Recensione a: A novel spectroscopic window on conical intersections in biomolecules, «PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA», 2020, 117, pp. 26553 - 26555 [recensione]Open Access
Teles-Ferreira D.C.; Conti I.; Borrego-Varillas R.; Nenov A.; Van Stokkum I.H.M.; Ganzer L.; Manzoni C.; de Paula A.M.; Cerullo G.; Garavelli M., A Unified Experimental/Theoretical Description of the Ultrafast Photophysics of Single and Double Thionated Uracils, «CHEMISTRY-A EUROPEAN JOURNAL», 2020, 26, pp. 336 - 343 [articolo]Open Access
Stoycheva J.; Tadjer A.; Garavelli M.; Spassova M.; Nenov A.; Romanova J., Boron-doped polycyclic aromatic hydrocarbons: A molecular set revealing the interplay between topology and singlet fission propensity, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2020, 11, pp. 1390 - 1396 [articolo]Open Access
Segatta F.; Nenov A.; Orlandi S.; Arcioni A.; Mukamel S.; Garavelli M., Exploring the capabilities of optical pump X-ray probe NEXAFS spectroscopy to track photo-induced dynamics mediated by conical intersections, «FARADAY DISCUSSIONS», 2020, 221, pp. 245 - 264 [articolo]Open Access
Jaiswal V.K.; Segarra-Marti J.; Marazzi M.; Zvereva E.; Assfeld X.; Monari A.; Garavelli M.; Rivalta I., First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2020, 22, pp. 15496 - 15508 [articolo]Open Access
Segarra-Marti J.; Segatta F.; Mackenzie T.A.; Nenov A.; Rivalta I.; Bearpark M.J.; Garavelli M., Modeling multidimensional spectral lineshapes from first principles: Application to water-solvated adenine, «FARADAY DISCUSSIONS», 2020, 221, pp. 219 - 244 [articolo]Open Access
Aquilante F.; Autschbach J.; Baiardi A.; Battaglia S.; Borin V.A.; Chibotaru L.F.; Conti I.; De Vico L.; Delcey M.; Galvan I.F.; Ferre N.; Freitag L.; Garavelli M.; Gong X.; Knecht S.; Larsson E.D.; Lindh R.; Lundberg M.; Malmqvist P.A.; Nenov A.; Norell J.; Odelius M.; Olivucci M.; Pedersen T.B.; Pedraza-Gonzalez L.; Phung Q.M.; Pierloot K.; Reiher M.; Schapiro I.; Segarra-Marti J.; Segatta F.; Seijo L.; Sen S.; Sergentu D.-C.; Stein C.J.; Ungur L.; Vacher M.; Valentini A.; Veryazov V., Modern quantum chemistry with [open]molcas, «THE JOURNAL OF CHEMICAL PHYSICS», 2020, 152, Article number: 214117, pp. 1 - 25 [articolo]Open Access
