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Mostrati risultati da 21 a 40 di 213
Titolo Autore(i) Anno Periodico Editore Tipo File
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 -
The CIS-TRANS Photoisomerization of the Phytochromobilin De Fusco, G. C.; Altoè, P.; Garavelli, Marco 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
Retinal Photoisomerization in Rhodopsin: Electrostatic and Steric Catalysis Tomasello, Gaia; Altoè, P.; Stenta, Marco; Olaso González, G.; Garavelli, Marco; Orlandi, Giorgio 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
Light driven molecular switches: exploring and tuning their photophysical and photochemical properties P. Altoè; F. Bernardi; I. Conti; M. Garavelli; F. Negri; G. Orlandi 2007-01-01 THEORETICAL CHEMISTRY ACCOUNTS - 1.01 Articolo in rivista -
The role of the intersection space in the photochemistry of tricyclo[3.3.0.0(2,6)]octa-3,7-diene L. M. Frutos; U. Sancho; M. Garavelli; M. Olivucci; O. Castano 2007-01-01 JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY - 1.01 Articolo in rivista -
Toward an Understanding of the Spectral Tuning in Rhodopsin Olaso González, G.; Tomasello, Gaia; Altoè, P.; Stenta, Marco; Serrano Andrés, L.; Merchán, M.; G...aravelli, Marco 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
The Catalytic Activity of Proline Racemase: a QM/MM Study Stenta, Marco; Calvaresi, Matteo; Altoè, P.; Spinelli, Domenico; Garavelli, Marco; Bottoni, Andrea 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
COBRAMM: A Tunable QM/MM Approach to Complex Molecular Architectures. Modelling the Excited and Ground State Properties of Sized Molecular Systems Altoè, P.; Stenta, Marco; Bottoni, Andrea; Garavelli, Marco 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
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 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
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 -
Fernando Bernardi Memorial Issue - Preface M. Garavelli
M. A. Robb 		2007-01-01 THEORETICAL CHEMISTRY ACCOUNTS - 1.01 Articolo in rivista -
Cyclohexenylphenyldiazene: A Simple Surrogate of the Azobenzene Photochromic Unit I. Conti; F. Marchioni; A. Credi; G. Orlandi; G. Rosini; M. Garavelli 2007-01-01 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - 1.01 Articolo in rivista -
Computational QM/MM Study of the Reaction Mechanism of Human Glutathione S-Transferase A3-3 Calvaresi, Matteo; Stenta, Marco; Altoè, P.; Bottoni, Andrea; Garavelli, Marco; Spinelli, Domenico 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
The Catalytic Activity of Diaminopimelate Epimerase: a QM/MM Study Stenta, Marco; Calvaresi, Matteo; Altoè, P.; Spinelli, Domenico; Garavelli, Marco; Bottoni, Andrea 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
Rhodopsin and GFP Chromophores: QM/MM Absorption Spectra in Solvent and Protein Altoè, P.; Stenta, Marco; Garavelli, Marco 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
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 -
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 -
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 -
Iridium Complexes with Terdentate Ligands: Cyclometalated vs. Polypyridine Analogues; Hybrid vs. “Pure” DFT Ravaglia, M.; Garavelli, Marco; Polson, M.; Scandola, F. 2007-01-01 - American Institute Of Physics 4.01 Contributo in Atti di convegno -
Computational Clues for a New Mechanism in the Glycosylase Activity of the Human DNA Repair Protein hOGG1. A Generalized Paradigm for Purine-Repairing Systems? Matteo Calvaresi; Andrea Bottoni; Marco Garavelli 2007-01-01 JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL - 1.01 Articolo in rivista -
Mostrati risultati da 21 a 40 di 213
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