Sfoglia per Autore
The CIS-TRANS Photoisomerization of the Phytochromobilin
2007 De Fusco, G. C.; Altoè, P.; Garavelli, Marco
Cyclohexenylphenyldiazene: A Simple Surrogate of the Azobenzene Photochromic Unit
2007 I. Conti; F. Marchioni; A. Credi; G. Orlandi; G. Rosini; M. Garavelli
Azobenzene cis-trans Photoisomerization Mechanism: Characterization of the Decay Ways from the Lowest pipi* Absorbing Singlet State
2007 Conti, Irene; Garavelli, Marco; Orlandi, Giorgio
A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction
2007 P. Altoè; M. Stenta; A. Bottoni; M. Garavelli
Computational DFT Investigation of Vicinal Amide Group Anchimeric Assistance in Ether Cleavage
2008 M. Calvaresi; S. Rinaldi; A. Arcelli; M. Garavelli
Triplet Pathways in Diarylethene Photochromism. Photophysical and Computational Study of Dyads Containing Ruthenium(II) Polypyridine and 1,2-bis(2-methylbenzothiophene-3-yl)maleimide Units
2008 M. T. Indelli; S. Carli; M. Ghirotti; C. Chiorboli; M. Ravaglia; M. Garavelli; F. Scandola
The Catalytic Activity of Proline Racemase: a QM/MM Study
2008 M. Stenta; M. Calvaresi; P. Altoè; D. Spinelli; M. Garavelli; A. Bottoni
A New Formulation of the Phase Change Approach in the Theory of Conical Intersections
2008 M. Robb; M. Garavelli; S. Vanni
The different photoisomerization efficiency of Azobenzene in the lowest nπ* and ππ* singlets: the role of a phantom state
2008 I. Conti; M. Garavelli; G. Orlandi
Computational Evidence for the Catalytic Mechanism of Glutaminyl Cyclase. A DFT Investigation
2008 M. Calvaresi; M. Garavelli; A. Bottoni
Modeling the Photophysics and Photochromic Potential of 1,2-Dihydronaphthalene (DHN): a Combined CASPT2//CASSCF-Topological and MMVB-Dynamical Investigation
2008 Tomasello G.; Ogliaro F.;Bearpark M. J.;Robb M. A.;Garavelli M.
nanoK: a Calculus for the Modeling and Simulation of nano devices
2008 A. Credi; M. Garavelli; C. Laneve; S. Pradalier; S. Silvi; G. Zavattaro
Electrostatic control of the photoisomerization efficiency and optical properties in visual pigments: on the role of counterion quenching.
2009 G. Tomasello; G. Olaso-Gonzalez; P. Altoè; M. Stenta; L. Serrano-Andrès; M. Merchan; G. Orlandi; A. Bottoni; M. Garavelli
Deciphering Intrinsic Deactivation/Isomerization Routes in a Phytochrome Chromophore Model
2009 P. Altoé; T. Climent; G. C. De Fusco; M. Stenta; A. Bottoni; L. Serrano-Andrés; M. Merchàn; G. Orlandi; M. Garavelli
Catalytic Mechanism of Diaminopimelate Epimerase: A QM/MM Investigation
2009 M. Stenta; M. Calvaresi; P. Altoè; D. Spinelli; M. Garavelli; R. Galeazzi; A. Bottoni
Multistate Photo-Induced Relaxation and Photoisomerization Ability of Fumaramide Threads: A Computational and Experimental Study
2009 P. Alto; N. Haraszkiewicz; F. G. Gatti; P. G. Wiering; C. Frochot; A. M. Brouwer; G. Balkowski; D. Shaw; S. Woutersen; W. J. Buma; F. Zerbetto; G. Orlandi; D. A. Leigh; M. Garavelli
Deciphering Low Energy Deactivation Channels in Adenine
2009 I. Conti; M. Garavelli; G. Orlandi
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
Probing and Modeling the Absorption of Retinal Protein Chromophores in Vacuo
2010 Rajput J.; D. B. Rahbek; L. H. Andersen; A. Hirshfeld; M. Sheves; P. Altoè; G. Orlandi; Garavelli M.;
Spectroscopic Properties of Formaldehyde in Aqueous Solution: Insights from Car−Parrinello and TDDFT/CASPT2 Calculations
2010 P. Lupieri; E. Ippoliti; P. Altoe’; M. Garavelli; M. Mwalaba; P. Carloni
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