Garavelli, Marco; Bernardi, Fernando; Cembran, Alessandro, Computation of photochemical reaction mechanisms in organic chemistry, in: COMPUTATIONAL PHOTOCHEMISTRY, AMSTERDAM, Elsevier, 2005, pp. 191 - 224 (Theoretical and Computational Chemistry) [Chapter or essay]
Polson M.; Ravaglia M.; Fracasso S.; Garavelli M.; Scandola F., Iridium Cyclometalated Complexes with Axial Symmetry: Time-Dependent Density Functional Theory Investigation of trans-Bis-Cyclometalated Complexes Containing the Tridentate Ligand 2,6-Diphenylpyridine, «INORGANIC CHEMISTRY», 2005, 44, pp. 1282 - 1289 [Scientific article]
L. De Vico; M. Garavelli; F. Bernardi; M. Olivucci, Photoisomerization Mechanism of 11-cis-Locked Artificial Retinal Chromophores: Acceleration and Primary Photoproduct Assignment, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2005, 127, pp. 2433 - 2442 [Scientific article]
P. ALTOE; F. BERNARDI; M. GARAVELLI; ORLANDI G.; F. NEGRI, Solvent effect on the vibrational activity and photodynamics of the Green Fluorescent Protein Chromophore: a Quantum-Chemical Study., «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2005, 127, pp. 3952 - 3963 [Scientific article]
Cembran A.; Gonzalez-Luque R.; Altoe P.; Merchan M.; Bernardi F.; Olivucci M.; Garavelli M., Structure, Spectroscopy, and Spectral Tuning of the Gas-Phase Retinal Chromophore: The beta-Ionone "Handle" and Alkyl Group Effect, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2005, 109, pp. 6597 - 6605 [Scientific article]
A. Cembran; F. Bernardi; M. Olivucci; M. Garavelli, The retinal chromophore/chloride ion-pair: Structure of the photoisomerization path and interplay of charge transfer and covalent states, «PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA», 2005, 102, pp. 6255 - 6260 [Scientific article]
P. Altoè; G. Orlandi; F. Negri; M. Garavelli, VIBRATIONAL ACTIVITY AND PHOTOISOMERIZATION PATHS OF THE GREEN FLUORESCENT PROTEIN CHROMOPHORE: VACUO AND SOLVENT EFFECTS BY QM-COMPUTATIONS, in: VII Convegno "Complex Systems: structure, properties, reactivity and dynamics", ALGHERO, sine nomine, 2005, pp. 83 - 83 (atti di: VII Convegno "Complex Systems: structure, properties, reactivity and dynamics", Alghero, Porto Conte Ricerche, 13-15 Giugno 2005) [Abstract]
M. Wanko; M. Garavelli; F. Bernardi; T. A. Niehaus; T. Frauenheim; M. Elstner, A Global Investigation of Excited State Surfaces within Time-Dependent Density-Functional
Response Theory, «THE JOURNAL OF CHEMICAL PHYSICS», 2004, 120, pp. 1674 - 1692 [Scientific article]
L. Gagliardi; G. Orlandi; F. Bernardi; A. Cembran; M. Garavelli, A Theoretical Study of the Lowest Electronic States of azobenzene: The role of torsion coordinate in the cis-trans photoisomerization, «THEORETICAL CHEMISTRY ACCOUNTS», 2004, 111, pp. 363 - 372 [Scientific article]
N. Ferré; A. Cembran; M. Garavelli; M. Olivucci, CASSCF/Amber parameterization of the Lys296-Retinal-Glu113 rhodopsin chromophore-counterion system, «THEORETICAL CHEMISTRY ACCOUNTS», 2004, 127, pp. 179 - 191 [Scientific article]
Bandini Marco; Fagioli Matteo; Garavelli Marco; Melloni Alfonso; Trigari Valerio; Umani-Ronchi Achille, Can Simple Enones Be Useful Partners for the Catalytic Stereoselective Alkylation of Indoles, «JOURNAL OF ORGANIC CHEMISTRY», 2004, 22, pp. 7511 - 7518 [Scientific article]
A. Cembran; F. Bernardi; M. Olivucci; M. Garavelli, Counterion Controlled Photoisomerization of Retinal Chromophore Models: a Computational Investigation, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2004, 126, pp. 16018 - 16037 [Scientific article]
C. Tomasini; G. Luppi; D. Lanci; M. Garavelli; A. Garelli; V. Trigari, Liquid-phase synthesis and conformational analysis of pseudoproline-containing turn mimics, in: Peptide Revolution: Genomics, Proteomics & Therapeutics, WASHINGTON D.C., AMER CHEMICAL SOC, 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA, 2004, pp. 433 - 434 [Chapter or essay]
A. CEMBRAN; F. BERNARDI; M. GARAVELLI; L. GAGLIARDI; ORLANDI G., On the Mechanism of the cis-trans Isomerization in the Lowest Electronic States of Azobenzene: S0, S1, and T1, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2004, 126, pp. 3234 - 3243 [Scientific article]
Migani A.; Sinicropi A.; Ferre N.; Cembran A.; Garavelli M.; Olivucci M., Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins, «FARADAY DISCUSSIONS», 2004, 127, pp. 179 - 191 [Scientific article]
