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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 227 (tempo di esecuzione: 0.048 secondi).
Titolo Autore(i) Anno Periodico Editore Tipo File
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... espandiio; Rivalta, Ivan; Orlandi, Silvia; Canè, Elisabetta; Garavelli, Marco; Conti, Irene; Muccioli, Luca 9999-01-01 MOLECULAR SYSTEMS DESIGN & ENGINEERING - 1.01 Articolo in rivista D4ME00183D.pdf; SI_AZO_MOST.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 -
Photochemical Pathways and Light-Enhanced Radical Scavenging Activity of 1,8-Dihydroxynaphthalene Allomelanin Petropoulos, Vasilis; Mordini, Dario; Montorsi, Francesco; Akturk, Mert; Menichetti, Arianna; Oli... espandivati, 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 -
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... espandini, 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, ... espandiSusan 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... espandiassia, 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... espandielli, 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... espandiv, 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
Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state Jaiswal, Vishal Kumar; Aranda Ruiz, Daniel; Petropoulos, Vasilis; Kabaciński, Piotr; Montorsi, Fr... espandiancesco; Uboldi, Lorenzo; Ugolini, Simone; Mukamel, Shaul; Cerullo, Giulio; Garavelli, Marco; Santoro, Fabrizio; Nenov, Artur 2024-01-01 NATURE COMMUNICATIONS - 1.01 Articolo in rivista Nenov_VoR.pdf; 41467_2024_48871_MOESM1_ESM.pdf; 41467_2024_48871_MOESM3_ESM (3).xlsx
Ultrafast photochemistry and electron-diffraction spectra in n → (3s) Rydberg excited cyclobutanone resolved at the multireference perturbative level Jaiswal, V. K.; Montorsi, F.; Aleotti, F.; Segatta, F.; Keefer, Daniel; Mukamel, Shaul; Nenov, A.... espandi; Conti, I.; Garavelli, M. 2024-01-01 THE JOURNAL OF CHEMICAL PHYSICS - 1.01 Articolo in rivista cyclobutanone.pdf; SI_Revised_MG.pdf
WFOT: A Wave Function Overlap Tool between Single- and Multi-Reference Electronic Structure Methods for Spectroscopy Simulation Loreti, Alessandro; Freixas, Victor Manuel; Avagliano, Davide; Segatta, Francesco; Song, Huajing;... espandi Tretiak, Sergei; Mukamel, Shaul; Garavelli, Marco; Govind, Niranjan; Nenov, Artur 2024-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista Draft_final.pdf; ct4c00310_si_001.pdf
Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size Cuellar-Zuquin, J.; Pepino, A. J.; Fde, z. Galvan I.; Rivalta, I.; Aquilante, F.; Garavelli, M.; ... espandiLindh, R.; Segarra-Marti, J. 2023-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista Rivalta_editoriale.pdf; Supporting_info_Rivalta_ct3c00577_si_001_compressed.pdf
Double Thionated Pyrimidine Nucleobases: Molecular Tools with Tunable Photoproperties Mohamadzade, Abed; Nenov, Artur; Garavelli, Marco; Conti, Irene; Ullrich, Susanne 2023-01-01 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - 1.01 Articolo in rivista mohamadzade-et-al-2023-double-thionated-pyrimidine-nucleobases-molecular-tools-with-tunable-photoproperties.pdf; ja2c12061_si_001.pdf
Electrochemically Generated Luminescence of Luminol and Luciferin in Ionic Liquids Belotti M.; El-Tahawy M.M.T.; Darwish N.; Garavelli M.; Ciampi S. 2023-01-01 CHEMELECTROCHEM - 1.01 Articolo in rivista 202201033.pdf
Electron and ion spectroscopy of Azobenzene in the valence and core shells Carlini, Laura; Montorsi, Francesco; Wu, Yingxuan; Bolognesi, Paola; Borrego-Varillas, Rocio; Cas... espandiavola, Anna Rita; Castrovilli, Mattea Carmen; Chiarinelli, Jacopo; mocci, daniele; Vismarra, Federico; Lucchini, Matteo; Nisoli, Mauro; Mukamel, Shaul; Garavelli, Marco; Richter, Robert; Nenov, Artur; Avaldi, Lorenzo 2023-01-01 THE JOURNAL OF CHEMICAL PHYSICS - 1.01 Articolo in rivista Carlini_et_al_draft_clean.pdf
Engineering Azobenzene Derivatives to Control the Photoisomerization Process Aleotti F.; Petropoulos V.; Van Overeem H.; Pettini M.; Mancinelli M.; Pecorari D.; Maiuri M.; Me... espandidri R.; Mazzanti A.; Preda F.; Perri A.; Polli D.; Conti I.; Cerullo G.; Garavelli M. 2023-01-01 JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY - 1.01 Articolo in rivista aleotti-et-al-2023-engineering-azobenzene-derivatives-to-control-the-photoisomerization-process.pdf
Modus Operandi of a Pedalo-Type Molecular Switch: Insight from Dynamics and Theoretical Spectroscopy Taddei M.; Garavelli M.; Amirjalayer S.; Conti I.; Nenov A. 2023-01-01 MOLECULES - 1.01 Articolo in rivista molecules-28-00816.pdf