GARAVELLI, MARCO

GARAVELLI, MARCO  

DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"  

Docenti di ruolo di Ia fascia  

Risultati 1 - 20 di 188 (tempo di esecuzione: 0.019 secondi).
Titolo Autore(i) Anno Periodico Editore Tipo File
A Global Investigation of Excited State Surfaces within Time-Dependent Density-Functional Response Theory M. Wanko; M. Garavelli; F. Bernardi; T. A. Niehaus; T. Frauenheim; M. Elstner 2004-01-01 THE JOURNAL OF CHEMICAL PHYSICS - 1.01 Articolo in rivista -
A New Formulation of the Phase Change Approach in the Theory of Conical Intersections M. Robb; M. Garavelli; S. Vanni 2008-01-01 CHEMICAL PHYSICS - 1.01 Articolo in rivista -
A Theoretical Study of the Lowest Electronic States of azobenzene: The role of torsion coordinate in the cis-trans photoisomerization L. Gagliardi; G. Orlandi; F. Bernardi; A. Cembran; M. Garavelli 2004-01-01 THEORETICAL CHEMISTRY ACCOUNTS - 1.01 Articolo in rivista -
A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction P. Altoè; M. Stenta; A. Bottoni; M. Garavelli 2007-01-01 THEORETICAL CHEMISTRY ACCOUNTS - 1.01 Articolo in rivista -
Ab initio Investigation to Model Stilbene Photo-Physical Properties by Combining CC2 Topological Investigation and CASPT2 Energy Corrections Tomasello, Gaia; Altoè, P.; Garavelli, Marco; Orlandi, Giorgio 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
Ab initio simulations of two-dimensional electronic spectra: The SOS//QM/MM approach Ivan Rivalta; Artur Nenov; Giulio Cerullo; Shaul Mukamel; Marco Garavelli 2014-01-01 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY - 1.01 Articolo in rivista -
About the Intrinsic Photochemical Properties of the 11-cis Retinal Chromophore: Computational Clues for a Trap State and a Lever Effect in Rhodopsin Catalysis A. Cembran; R. González-Luque; L. Serrano-Andrés; M. Merchán; M. Garavelli 2007-01-01 THEORETICAL CHEMISTRY ACCOUNTS - 1.01 Articolo in rivista -
Adenine deactivation in DNA resolved at the CASPT2//CASSCF/AMBER level I. Conti; P. Altoe`; M. Stenta; M. Garavelli; G. Orlandi 2010-01-01 PHYSICAL CHEMISTRY CHEMICAL PHYSICS - 1.01 Articolo in rivista -
An ab initio Study of Decay Mechanism of Adenine: the Facile Path of the Amino NH Bond Cleavage Conti, Irene; Garavelli, Marco; Orlandi, Giorgio 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
An aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of Bacteriorhodopsin proton-pumping P. Altoè; A. Cembran; M. Olivucci; M. Garavelli 2010-01-01 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - 1.01 Articolo in rivista -
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 Orlandi, Giorgio; Garavelli, Marco; Zerbetto, Francesco 2017-01-01 PHYSICAL CHEMISTRY CHEMICAL PHYSICS - 1.01 Articolo in rivista -
Azobenzene cis-trans Photoisomerization Mechanism: Characterization of the Decay Ways from the Lowest pipi* Absorbing Singlet State Conti, Irene; Garavelli, Marco; Orlandi, Giorgio 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
beta-Pseudopeptide foldamers. The homo-oligomers of (4R)-(2-oxo-1,3-oxazolidin-4-yl)-acetic acid (D-Oxac) Luppi G.; Galeazzi R.; Garavelli M.; Formaggio F.; Tomasini C. 2004-01-01 ORGANIC & BIOMOLECULAR CHEMISTRY - 1.01 Articolo in rivista -
Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles Artur Nenov;Ivan Rivalta;Shaul Mukamel;Marco Garavelli 2014-01-01 COMPUTATIONAL AND THEORETICAL CHEMISTRY - 1.01 Articolo in rivista -
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 Cesari C.; Berti B.; Calcagno F.; Lucarelli C.; Garavelli M.; Mazzoni R.; Rivalta I.; Zacchini S. 2021-01-01 ORGANOMETALLICS - 1.01 Articolo in rivista -
Boron-doped polycyclic aromatic hydrocarbons: A molecular set revealing the interplay between topology and singlet fission propensity Stoycheva J.; Tadjer A.; Garavelli M.; Spassova M.; Nenov A.; Romanova J. 2020-01-01 THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS - 1.01 Articolo in rivista -
Can Simple Enones Be Useful Partners for the Catalytic Stereoselective Alkylation of Indoles Bandini Marco; Fagioli Matteo; Garavelli Marco; Melloni Alfonso; Trigari Valerio; Umani-Ronchi Achille 2004-01-01 JOURNAL OF ORGANIC CHEMISTRY - 1.01 Articolo in rivista -
CASSCF/Amber parameterization of the Lys296-Retinal-Glu113 rhodopsin chromophore-counterion system N. Ferré; A. Cembran; M. Garavelli; M. Olivucci 2004-01-01 THEORETICAL CHEMISTRY ACCOUNTS - 1.01 Articolo in rivista -
Catalytic Mechanism of Diaminopimelate Epimerase: A QM/MM Investigation M. Stenta; M. Calvaresi; P. Altoè; D. Spinelli; M. Garavelli; R. Galeazzi; A. Bottoni 2009-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista -
COBRAMM (part 1): a Tunable QM/MM Approach to Chemical Reactivity, Structure and Physico-Chemical Properties Prediction Altoè, P.; Stenta, Marco; Bottoni, Andrea; Garavelli, Marco 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -