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GARAVELLI, MARCO

GARAVELLI, MARCO  

CHIMIND - DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"  

Docenti di ruolo di Ia fascia  

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Risultati 1 - 20 di 236 (tempo di esecuzione: 0.035 secondi).
Titolo Autore(i) Anno Periodico Editore Tipo File
Mol2Raman: a graph neural network model for predicting Raman spectra from SMILES representations Sorrentino, S.; Gussoni, A.; Calcagno, F.; Pasotti, G.; Avagliano, D.; Rivalta, I.; Garavelli, M....; Polli, D. 2026-01-01 DIGITAL DISCOVERY - 1.01 Articolo in rivista d5dd00210a.pdf; d5dd00210a1.pdf
Characterization of the hemithioindigo photoswitch and its derivatives with x-ray photoabsorption and photoemission spectroscopies Oberti, L.; Avaldi, L.; Bolognesi, P.; Bonanomi, M.; Borrego-Varillas, R.; Callegari, C.; Carlini..., L.; Chiarinelli, J.; Ciekalski, E.; Coreno, M.; Devetta, M.; Di Fraia, M.; Garavelli, M.; Goffe, M.; Grazioli, C.; Montorsi, F.; Prince, K. C.; Richter, R.; Segatta, F.; Waldmannstetter, S.; Cerullo, G.; Dube, H.; Plekan, O.; Faccialà, D.; Vozzi, C.; Nenov, A. 2025-01-01 THE JOURNAL OF CHEMICAL PHYSICS - 1.01 Articolo in rivista VoR_Nenov_244202_1_5.0271164.pdf; Supplementary Information.pdf
Composizione farmaceutica per la prevenzione e trattamento di infezioni virali o batteriche delle vie respiratorie Garavelli, Marco; Tonelli, Domenica; Lazzarotto, Tiziana; Cantiani, Alessia; Marco De Angelis, 2025-01-01 - - 6.01 Brevetto -
Conical Intersections Studied by the Configuration-Interaction-Corrected Tamm-Dancoff Method Xu, L.; Freixas, V. M.; Aleotti, F.; Truhlar, D. G.; Tretiak, S.; Garavelli, M.; Mukamel, S.; Gov...ind, N. 2025-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista Conical_Intersection_Correction_Project_revised.pdf; ct4c01768_si_001.pdf
Deconstructing Chirality: Probing Local and Nonlocal Effects in Azobenzene Derivatives with X-ray Circular Dichroism Khanna, A.; Freixas, V. M.; Xu, L.; Rouxel, J. R.; Govind, N.; Garavelli, M.; Mukamel, S.; Tretia...k, S. 2025-01-01 THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS - 1.01 Articolo in rivista deconstructing-chirality-probing-local-and-nonlocal-effects-in-azobenzene-derivatives-with-x-ray-circular-dichroism.pdf; jz5c02638_si_002.pdf; jz5c02638_si_003.pdf
Effect of A-DNA and B-DNA Conformation on the Interplay between Local Excitations and Charge-Transfer States in the Ultrafast Decay of Guanine-Cytosine Stacked Dimers: A Quantum Dynamical Investigation Aarabi, M.; Yaghoubi Jouybari, M.; Xu, Q.; Garavelli, M.; Santoro, F.; Improta, R. 2025-01-01 JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY - 1.01 Articolo in rivista GC_paper_rev2 (1)_compressed.pdf; SI_jp4c06672_si_001_compressed.pdf
Is DFT enough? Towards Accurate High-Throughput Computational Screening of Azobenzenes for Molecular Solar Thermal Applications Aleotti, Flavia; Soprani, Lorenzo; Rodríguez-Almeida, Lucas F.; Calcagno, Francesco; Loprete, Fab...io; Rivalta, Ivan; Orlandi, Silvia; Canè, Elisabetta; Garavelli, Marco; Conti, Irene; Muccioli, Luca 2025-01-01 MOLECULAR SYSTEMS DESIGN & ENGINEERING - 1.01 Articolo in rivista SI_AZO_MOST.pdf; d4me00183d.pdf
Modelling the role of internal flexibility and inter-state couplings modulated by an explicit environment in the absorption spectrum of coelenteramide Aarabi, M.; Gholami, S.; Giannini, S.; Garavelli, M.; Prampolini, G.; Santoro, F. 2025-01-01 PHYSICAL CHEMISTRY CHEMICAL PHYSICS - 1.01 Articolo in rivista Coel_si.pdf; d5cp01696g.pdf
Photochemical Pathways and Light-Enhanced Radical Scavenging Activity of 1,8-Dihydroxynaphthalene Allomelanin Petropoulos, Vasilis; Mordini, Dario; Montorsi, Francesco; Akturk, Mert; Menichetti, Arianna; Oli...vati, Andrea; Petrozza, Annamaria; Morandi, Vittorio; Maiuri, Margherita; Gianneschi, Nathan C.; Garavelli, Marco; Valgimigli, Luca; Cerullo, Giulio; Montalti, Marco 2025-01-01 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - 1.01 Articolo in rivista -
Quantum Dynamics Predicts Coherent Oscillations in the Early Times of a Biological Photoisomerization Aarabi, M.; Marsili, E.; Olivucci, M.; Lauvergnat, D.; Agostini, F.; Garavelli, M.; Santoro, F. 2025-01-01 THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS - 1.01 Articolo in rivista PSB3_letter preprint.pdf; jz5c01957_si_001.pdf; jz5c01957_si_002.pdf
Stimulated x-ray Raman scattering for selective preparation of dark states bypassing optical selection rules Montorsi, Francesco; Mukamel, Shaul; Tamassia, Filippo; Garavelli, Marco; Segatta, Francesco; Nen...ov, Artur 2025-01-01 PHYSICAL REVIEW A - 1.01 Articolo in rivista PRL_DarkStates (3).pdf
Tracing Long-Lived Atomic Coherences Generated via Molecular Conical Intersections Rupprecht, P.; Montorsi, F.; Xu, L.; Puskar, N. G.; Garavelli, M.; Mukamel, S.; Govind, N.; Neuma...rk, D. M.; Keefer, D.; Leone, S. R. 2025-01-01 PHYSICAL REVIEW LETTERS - 1.01 Articolo in rivista 6bfk-mgpn-2.pdf; CH3I_FWM_PRL_SM_accepted.pdf
Author correction: Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state Jaiswal, V. K.; Aranda Ruiz, D.; Petropoulos, V.; Kabacinski, P.; Montorsi, F.; Uboldi, L.; Ugoli...ni, S.; Mukamel, S.; Cerullo, G.; Garavelli, M.; Santoro, F.; Nenov, A. 2024-01-01 NATURE COMMUNICATIONS - 1.01 Articolo in rivista s41467-024-52280-y.pdf
Catching ultrafast photo-processes in the act: the virtual time-resolved spectrometer Conti, Irene; Mohamadzade, Abed; Nenov, Artur; Jaiswal, VISHAL KUMAR; Garavelli, Marco; Ullrich, ...Susan 2024-01-01 - - 4.01 Contributo in Atti di convegno -
Combined computational-experimental study of Ru(0)-catalyzed Guerbet reaction Calcagno, Francesco; Cesari, Cristiana; Gagliardi, Anna; Messori, Alessandro; Piazzi, Andrea; Tam...assia, Filippo; Garavelli, Marco; Himo, Fahmi; Mazzoni, Rita; Rivalta, Ivan 2024-01-01 CELL REPORTS PHYSICAL SCIENCE - 1.01 Articolo in rivista PIIS2666386424006052.pdf; mmc1 (1).pdf; mmc2 (1).pdf
Hybrid QM/MM Approach for the Calculation of Excited States in Complex Environments Avagliano, Davide; Conti, Irene; El-Tahawy, Mohsen M. T.; Jaiswal, Vishal K.; Nenov, Artur; Garav...elli, Marco 2024-01-01 - Elsevier 2.01 Capitolo / saggio in libro -
Modeling pH-Dependent Biomolecular Photochemistry Pieri, E.; Weingart, O.; Huix-Rotllant, M.; Ledentu, V.; Garavelli, M.; Ferré, N. 2024-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista pieri-et-al-2024-modeling-ph-dependent-biomolecular-photochemistry-2.pdf; ct3c00980_si_001.pdf
Modeling solvent effects and convergence of 31P‐NMR shielding calculations with COBRAMM Calcagno, Francesco; Maryasin, Boris; Garavelli, Marco; Avagliano, Davide; Rivalta, Ivan 2024-01-01 JOURNAL OF COMPUTATIONAL CHEMISTRY - 1.01 Articolo in rivista JCC‐NMR_PUBB_compressed.pdf; jcc27338-sup-0001-supinfo.docx
Reconciling TD‐DFT and CASPT2 electronic structure methods for describing the photophysics of DNA Jaiswal, Vishal Kumar; Taddei, Mario; Nascimento, Daniel R.; Garavelli, Marco; Conti, Irene; Neno...v, Artur 2024-01-01 PHOTOCHEMISTRY AND PHOTOBIOLOGY - 1.01 Articolo in rivista SupportingInfo.pdf; Accepted_Manuscript.pdf
Retinal photoisomerization versus counterion protonation in light and dark-adapted bacteriorhodopsin and its primary photoproduct Malakar, P.; Gholami, S.; Aarabi, M.; Rivalta, I.; Sheves, M.; Garavelli, M.; Ruhman, S. 2024-01-01 NATURE COMMUNICATIONS - 1.01 Articolo in rivista s41467-024-46061-w.pdf; 41467_2024_46061_MOESM1_ESM.pdf