Sfoglia per Autore
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.
Counterion Controlled Photoisomerization of Retinal Chromophore Models: a Computational Investigation
2004 A. Cembran; F. Bernardi; M. Olivucci; M. Garavelli
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
Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins
2004 Migani A.; Sinicropi A.; Ferre N.; Cembran A.; Garavelli M.; Olivucci M.
Can Simple Enones Be Useful Partners for the Catalytic Stereoselective Alkylation of Indoles
2004 Bandini Marco; Fagioli Matteo; Garavelli Marco; Melloni Alfonso; Trigari Valerio; Umani-Ronchi Achille
CASSCF/Amber parameterization of the Lys296-Retinal-Glu113 rhodopsin chromophore-counterion system
2004 N. Ferré; A. Cembran; M. Garavelli; M. Olivucci
Liquid-phase synthesis and conformational analysis of pseudoproline-containing turn mimics
2004 C. Tomasini; G. Luppi; D. Lanci; M. Garavelli; A. Garelli; V. Trigari
On the Mechanism of the cis-trans Isomerization in the Lowest Electronic States of Azobenzene: S0, S1, and T1
2004 A. CEMBRAN; F. BERNARDI; M. GARAVELLI; L. GAGLIARDI; ORLANDI G.
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
Solvent effect on the vibrational activity and photodynamics of the Green Fluorescent Protein Chromophore: a Quantum-Chemical Study.
2005 P. ALTOE; F. BERNARDI; M. GARAVELLI; ORLANDI G.; F. NEGRI
Iridium Cyclometalated Complexes with Axial Symmetry: Time-Dependent Density Functional Theory Investigation of trans-Bis-Cyclometalated Complexes Containing the Tridentate Ligand 2,6-Diphenylpyridine
2005 Polson M.; Ravaglia M.; Fracasso S.; Garavelli M.; Scandola F.
VIBRATIONAL ACTIVITY AND PHOTOISOMERIZATION PATHS OF THE GREEN FLUORESCENT PROTEIN CHROMOPHORE: VACUO AND SOLVENT EFFECTS BY QM-COMPUTATIONS
2005 P. Altoè; G. Orlandi; F. Negri; M. Garavelli
Computation of photochemical reaction mechanisms in organic chemistry
2005 Garavelli, Marco; Bernardi, Fernando; Cembran, Alessandro
Photoisomerization Mechanism of 11-cis-Locked Artificial Retinal Chromophores: Acceleration and Primary Photoproduct Assignment
2005 L. De Vico; M. Garavelli; F. Bernardi; M. Olivucci
Structure, Spectroscopy, and Spectral Tuning of the Gas-Phase Retinal Chromophore: The beta-Ionone "Handle" and Alkyl Group Effect
2005 Cembran A.; Gonzalez-Luque R.; Altoe P.; Merchan M.; Bernardi F.; Olivucci M.; Garavelli M.
The retinal chromophore/chloride ion-pair: Structure of the photoisomerization path and interplay of charge transfer and covalent states
2005 A. Cembran; F. Bernardi; M. Olivucci; M. Garavelli
Controllo della reattività fotochimica in cromofori retinalici
2006 Garavelli M.
Computational Organic Photochemistry: Strategy, Achievements and Perspectives
2006 M. Garavelli
Substituent controlled spectroscopy and excited state topography of retinal chromophore models: fluorinated and methoxy-substituted protonated Schiff bases
2006 I. CONTI; F. BERNARDI; G. ORLANDI; M. 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
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