Rouxel J.R.; Keefer D.; Aleotti F.; Nenov A.; Garavelli M.; Mukamel S., Coupled Electronic and Nuclear Motions during Azobenzene Photoisomerization Monitored by Ultrafast Electron Diffraction, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2022, 18, pp. 605 - 613 [articolo]Open Access
Jaiswal, V. K.; Kabacinski, P.; Nogueira De Faria, B. E.; Gentile, M.; De Paula, A. M.; Borrego-Varillas, R.; Nenov, A.; Conti, I.; Cerullo, G.; Garavelli, M., Environment-Driven Coherent Population Transfer Governs the Ultrafast Photophysics of Tryptophan, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2022, 144, pp. 12884 - 12892 [articolo]Open Access
Montorsi, F.; Segatta, F.; Nenov, A.; Mukamel, S.; Garavelli, M., Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2022, 18, pp. 1003 - 1016 [articolo]Open Access
Nam, Y.; Montorsi, F.; Keefer, D.; Cavaletto, S. M.; Lee, J. Y.; Nenov, A.; Garavelli, M.; Mukamel, S., Time-Resolved Optical Pump-Resonant X-ray Probe Spectroscopy of 4-Thiouracil: A Simulation Study, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2022, 18, pp. 3075 - 3088 [articolo]Open Access
Nam, Y.; Keefer, D.; Nenov, A.; Conti, I.; Aleotti, F.; Segatta, F.; Lee, J. Y.; Garavelli, M.; Mukamel, S., Conical Intersection Passages of Molecules Probed by X-ray Diffraction and Stimulated Raman Spectroscopy, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2021, 12, pp. 12300 - 12309 [articolo]Open Access
Keefer, Daniel; Aleotti, Flavia; Rouxel, Jérémy R; Segatta, Francesco; Gu, Bing; Nenov, Artur; Garavelli, Marco; Mukamel, Shaul, Imaging conical intersection dynamics during azobenzene photoisomerization by ultrafast X-ray diffraction, «PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA», 2021, 118, Article number: e2022037118, pp. 1 - 10 [articolo]Open Access
Segatta F.; Russo M.; Nascimento D.R.; Presti D.; Rigodanza F.; Nenov A.; Bonvicini A.; Arcioni A.; Mukamel S.; Maiuri M.; Muccioli L.; Govind N.; Cerullo G.; Garavelli M., In Silico Ultrafast Nonlinear Spectroscopy Meets Experiments: The Case of Perylene Bisimide Dye, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2021, 17, pp. 7134 - 7145 [articolo]Open Access
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. 1 - 9 [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
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
