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ItalianoGARAVELLI, MARCO
Pubblicazioni
Risultati 1 - 20 di 146 (tempo di esecuzione: 0.001 secondi).
| Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File | |
|---|---|---|---|---|---|---|---|
| 1 | 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 | THE JOURNAL OF CHEMICAL PHYSICS | 1.01 Articolo in rivista | - | |
| 2 | A New Formulation of the Phase Change Approach in the Theory of Conical Intersections | M. Robb; M. Garavelli; S. Vanni | 2008 | CHEMICAL PHYSICS | 1.01 Articolo in rivista | - | |
| 3 | 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 | THEORETICAL CHEMISTRY ACCOUNTS | 1.01 Articolo in rivista | - | |
| 4 | A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction | P. Altoè; M. Stenta; A. Bottoni; M. Garavelli | 2007 | THEORETICAL CHEMISTRY ACCOUNTS | 1.01 Articolo in rivista | - | |
| 5 | 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 | American Institute Of Physics | 4.01 Contributo in Atti di convegno | - | |
| 6 | Ab initio simulations of two-dimensional electronic spectra: The SOS//QM/MM approach | Ivan Rivalta; Artur Nenov; Giulio Cerullo; Shaul Mukamel; Marco Garavelli | 2014 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1.01 Articolo in rivista | - | |
| 7 | 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 | THEORETICAL CHEMISTRY ACCOUNTS | 1.01 Articolo in rivista | - | |
| 8 | Adenine deactivation in DNA resolved at the CASPT2//CASSCF/AMBER level | I. Conti; P. Altoe`; M. Stenta; M. Garavelli; G. Orlandi | 2010 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 1.01 Articolo in rivista | - | |
| 9 | 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 | American Institute Of Physics | 4.01 Contributo in Atti di convegno | - | |
| 10 | 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 | PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA | 1.01 Articolo in rivista | - | |
| 11 | 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 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 1.01 Articolo in rivista | - | |
| 12 | Azobenzene cis-trans Photoisomerization Mechanism: Characterization of the Decay Ways from the Lowest pipi* Absorbing Singlet State | Conti, Irene; Garavelli, Marco; Orlandi, Giorgio | 2007 | American Institute Of Physics | 4.01 Contributo in Atti di convegno | - | |
| 13 | 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 | ORGANIC & BIOMOLECULAR CHEMISTRY | 1.01 Articolo in rivista | - | |
| 14 | Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles | Artur Nenov;Ivan Rivalta;Shaul Mukamel;Marco Garavelli | 2014 | COMPUTATIONAL AND THEORETICAL CHEMISTRY | 1.01 Articolo in rivista | - | |
| 15 | 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 Ac...hille | 2004 | JOURNAL OF ORGANIC CHEMISTRY | 1.01 Articolo in rivista | - | |
| 16 | CASSCF/Amber parameterization of the Lys296-Retinal-Glu113 rhodopsin chromophore-counterion system | N. Ferré; A. Cembran; M. Garavelli; M. Olivucci | 2004 | THEORETICAL CHEMISTRY ACCOUNTS | 1.01 Articolo in rivista | - | |
| 17 | Catalytic Mechanism of Diaminopimelate Epimerase: A QM/MM Investigation | M. Stenta; M. Calvaresi; P. Altoè; D. Spinelli; M. Garavelli; R. Galeazzi; A. Bottoni | 2009 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | 1.01 Articolo in rivista | - | |
| 18 | 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 | American Institute Of Physics | 4.01 Contributo in Atti di convegno | - | |
| 19 | COBRAMM (part 2): an Overview on Some Computational Details; Geometry Optimization, Frequency Calculation, Analysis of the Results | Stenta, Marco; Altoè, P.; Bottoni, Andrea; Garavelli, Marco | 2007 | American Institute Of Physics | 4.01 Contributo in Atti di convegno | - | |
| 20 | COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations | GARAVELLI, NENOV, RIVALTA, WEINGART, ALTOE', SEGARRA-MARTI, DOKUKINA IRINA | 2018 | JOURNAL OF MOLECULAR MODELING | 1.01 Articolo in rivista | - |
Dettaglio
GARAVELLI, MARCO
DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"
Docenti di ruolo di Ia fascia
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