Carone A.; Mariani P.; Desert A.; Romanelli M.; Marcheselli J.; Garavelli M.; Corni S.; Rivalta I.; Parola S., Insight on Chirality Encoding from Small Thiolated Molecule to Plasmonic Au@Ag and Au@Au Nanoparticles, «ACS NANO», 2022, 16, pp. 1089 - 1101 [articolo]Open Access
Belotti, M.; El-Tahawy, M. M. T.; Yu, L. -J.; Russell, I. C.; Darwish, N.; Coote, M. L.; Garavelli, M.; Ciampi, S., Luciferase-free Luciferin Electrochemiluminescence, «ANGEWANDTE CHEMIE. INTERNATIONAL EDITION», 2022, 61, Article number: e202209670, pp. 1 - 9 [articolo]Open Access
Fanciullo, Giacomo; Conti, Irene; Didier, Pascal; Klymchenko, Andrey; Léonard, Jérémie; Garavelli, Marco; Rivalta, Ivan, Modelling quenching mechanisms of disordered molecular systems in the presence of molecular aggregates, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2022, 24, pp. 1787 - 1794 [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
Cesari, C.; Berti, B.; Calcagno, F.; Lucarelli, C.; Garavelli, M.; Mazzoni, R.; Rivalta, I.; Zacchini, S., Bimetallic Co-M (M = Cu, Ag, and Au) Carbonyl Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis, Structures, Computational Investigation, and Catalysis for Ammonia Borane Dehydrogenation, «ORGANOMETALLICS», 2021, 40, pp. 2724 - 2735 [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
Demoulin B.; Maiuri M.; Berbasova T.; Geiger J.H.; Borhan B.; Garavelli M.; Cerullo G.; Rivalta I., Control of Protonated Schiff Base Excited State Decay within Visual Protein Mimics: A Unified Model for Retinal Chromophores, «CHEMISTRY-A EUROPEAN JOURNAL», 2021, 27, pp. 16389 - 16400 [articolo]Open Access
Keefer D.; Rouxel J.R.; Aleotti F.; Segatta F.; Garavelli M.; Mukamel S., Diffractive Imaging of Conical Intersections Amplified by Resonant Infrared Fields, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2021, 143, pp. 13806 - 13815 [articolo]Open Access
Fedotov D.A.; Paul A.C.; Posocco P.; Santoro F.; Garavelli M.; Koch H.; Coriani S.; Improta R., Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2021, 17, pp. 1638 - 1652 [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
