Foto del docente

Marco Garavelli

Full Professor

Department of Industrial Chemistry "Toso Montanari"

Academic discipline: CHIM/02 Physical Chemistry


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 - 1794 [Scientific article]

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 [Scientific article]

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 [Scientific article]

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 [Scientific article]

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 [Scientific article]

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 [Scientific article]

Piotr Kabacinski, Marco Romanelli, Eveliina Ponkkonen, Irene Conti, Thomas Carell, Marco Garavelli, and Giulio Cerullo, Excited State Decay Pathways of Epigenetic DNA Nucleosides Tracked with Sub-20-fs UV Pulses, in: 2021 Conference on Lasers and Electro-Optics Europe and European Quantum Electronics Conference, 2021, pp. 1 - 1 (atti di: The European Conference on Lasers and Electro-Optics 2021, Munich Germany, 21–25 June 2021) [Contribution to conference proceedings]

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 [Scientific article]

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 [Scientific article]

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 [Scientific article]

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», 2021, 16, pp. 1089 - 1101 [Scientific article]

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 [Scientific article]

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. 053201 - 053201 [Scientific article]

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. 396 - 396 [Scientific article]

Song H.; Nam Y.; Keefer D.; Garavelli M.; Mukamel S.; Tretiak S., Nonadiabatic Molecular Dynamics Study of the Relaxation Pathways of Photoexcited Cyclooctatetraene, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2021, 12, pp. 5716 - 5722 [Scientific article]