Segatta F.; Nenov A.; Nascimento D.R.; Govind N.; Mukamel S.; Garavelli M., iSPECTRON: A simulation interface for linear and nonlinear spectra with ab-initio quantum chemistry software, «JOURNAL OF COMPUTATIONAL CHEMISTRY», 2021, 42, pp. 644 - 659 [articolo]Open Access
Gu B.; Nenov A.; Segatta F.; Garavelli M.; Mukamel S., Manipulating Core Excitations in Molecules by X-Ray Cavities, «PHYSICAL REVIEW LETTERS», 2021, 126, Article number: 053201, pp. 1 - 7 [articolo]Open Access
Segatta F.; Rogers D.M.; Dyer N.T.; Guest E.E.; Li Z.; Do H.; Nenov A.; Garavelli M.; Hirst J.D., Near-ultraviolet circular dichroism and two-dimensional spectroscopy of polypeptides, «MOLECULES», 2021, 26, Article number: 396, pp. 1 - 13 [articolo]Open Access
Aleotti F.; Aranda D.; Yaghoubi Jouybari M.; Garavelli M.; Nenov A.; Santoro F., Parameterization of a linear vibronic coupling model with multiconfigurational electronic structure methods to study the quantum dynamics of photoexcited pyrene, «THE JOURNAL OF CHEMICAL PHYSICS», 2021, 154, Article number: 104106, pp. 1 - 16 [articolo]Open Access
Conti I.; Bonfanti M.; Nenov A.; Rivalta I.; Garavelli M., Photo-Active Biological Molecular Materials: From Photoinduced Dynamics to Transient Electronic Spectroscopies, in: Challenges and Advances in Computational Chemistry and Physics, Basingstoke, Regno Unito, Springer Science and Business Media B.V., 2021, pp. 77 - 142 [capitolo di libro]
Gu B.; Keefer D.; Aleotti F.; Nenov A.; Garavelli M.; Mukamel S., Photoisomerization transition state manipulation by entangled two-photon absorption, «PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA», 2021, 118, Article number: e2116868118, pp. e2116868118 - e2116868118 [articolo]
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
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
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
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
Keefer D.; Aleotti F.; Rouxel J.; Segatta F.; Gu B.; Nenov A.; Garavelli M.; Mukamel S., Monitoring ultrafast photoisomerization of azobenzene by time-resolved x-ray diffraction, in: LW4F - Ultrafast Science with Free Electron Lasers, 2020, pp. 1 - 3 (atti di: Frontiers in Optics / Laser Science, Washington, DC, United States, 14–17 September 2020) [Contributo in Atti di convegno]
Aleotti F.; Nenov A.; Salvigni L.; Bonfanti M.; El-Tahawy M.M.; Giunchi A.; Gentile M.; Spallacci C.; Ventimiglia A.; Cirillo G.; Montali L.; Scurti S.; Garavelli M.; Conti I., Spectral Tuning and Photoisomerization Efficiency in Push-Pull Azobenzenes: Designing Principles, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2020, 124, pp. 9513 - 9523 [articolo]Open Access
