GARAVELLI, MARCO
GARAVELLI, MARCO
DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"
Docenti di ruolo di Ia fascia
A Global Investigation of Excited State Surfaces within Time-Dependent Density-Functional Response Theory
2004 M. Wanko; M. Garavelli; F. Bernardi; T. A. Niehaus; T. Frauenheim; M. Elstner
A multi-addressable switch based on the dimethyldihydropyrene photochrome with remarkable proton-triggered photo-opening efficiency
2015 Roldan, D.; Cobo, S.; Lafolet, F.; Vila, N.; Bochot, C.; Bucher, C.; Saint-Aman, E.; Boggio-Pasqua, M.; Garavelli, M.; Royal, G.
A New Formulation of the Phase Change Approach in the Theory of Conical Intersections
2008 M. Robb; M. Garavelli; S. Vanni
A novel spectroscopic window on conical intersections in biomolecules
2020 Cerullo G.; Garavelli M.
A Quantum Chemical Interpretation of Two-Dimensional Electronic Spectroscopy of Light-Harvesting Complexes
2017 Segatta, Francesco; Cupellini, Lorenzo; Jurinovich, Sandro; Mukamel, Shaul; Dapor, Maurizio; Taioli, Simone; Garavelli, Marco; Mennucci, Benedetta
A Theoretical Study of the Lowest Electronic States of azobenzene: The role of torsion coordinate in the cis-trans photoisomerization
2004 L. Gagliardi; G. Orlandi; F. Bernardi; A. Cembran; M. Garavelli
A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction
2007 P. Altoè; M. Stenta; A. Bottoni; M. Garavelli
A Unified Experimental/Theoretical Description of the Ultrafast Photophysics of Single and Double Thionated Uracils
2020 Teles-Ferreira D.C.; Conti I.; Borrego-Varillas R.; Nenov A.; Van Stokkum I.H.M.; Ganzer L.; Manzoni C.; de Paula A.M.; Cerullo G.; Garavelli M.
Ab initio Investigation to Model Stilbene Photo-Physical Properties by Combining CC2 Topological Investigation and CASPT2 Energy Corrections
2007 Tomasello, Gaia; Altoè, P.; Garavelli, Marco; Orlandi, Giorgio
Ab initio simulations of two-dimensional electronic spectra: The SOS//QM/MM approach
2014 Ivan Rivalta; Artur Nenov; Giulio Cerullo; Shaul Mukamel; Marco Garavelli
About the Intrinsic Photochemical Properties of the 11-cis Retinal Chromophore: Computational Clues for a Trap State and a Lever Effect in Rhodopsin Catalysis
2007 A. Cembran; R. González-Luque; L. Serrano-Andrés; M. Merchán; M. Garavelli
Adenine deactivation in DNA resolved at the CASPT2//CASSCF/AMBER level
2010 I. Conti; P. Altoe`; M. Stenta; M. Garavelli; G. Orlandi
An ab initio Study of Decay Mechanism of Adenine: the Facile Path of the Amino NH Bond Cleavage
2007 Conti, Irene; Garavelli, Marco; Orlandi, Giorgio
An aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of Bacteriorhodopsin proton-pumping
2010 P. Altoè; A. Cembran; M. Olivucci; M. Garavelli
Analysis of the vibronic structure of the: Trans -stilbene fluorescence and excitation spectra: The S0 and S1 PES along the CeCe and Ce-Cph torsions
2017 Orlandi, Giorgio; Garavelli, Marco; Zerbetto, Francesco
Automatized protocol and interface to simulate QM/MM time-resolved transient absorption at TD-DFT level with COBRAMM
2022 Avagliano D.; Bonfanti M.; Nenov A.; Garavelli M.
Azobenzene cis-trans Photoisomerization Mechanism: Characterization of the Decay Ways from the Lowest pipi* Absorbing Singlet State
2007 Conti, Irene; Garavelli, Marco; Orlandi, Giorgio
beta-Pseudopeptide foldamers. The homo-oligomers of (4R)-(2-oxo-1,3-oxazolidin-4-yl)-acetic acid (D-Oxac)
2004 Luppi G.; Galeazzi R.; Garavelli M.; Formaggio F.; Tomasini C.
Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles
2014 Artur Nenov;Ivan Rivalta;Shaul Mukamel;Marco Garavelli
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
2021 Cesari C.; Berti B.; Calcagno F.; Lucarelli C.; Garavelli M.; Mazzoni R.; Rivalta I.; Zacchini S.