STENTA, MARCO

STENTA, MARCO  

DIP. DI CHIMICA "G.CIAMICIAN"  

Risultati 1 - 20 di 21 (tempo di esecuzione: 0.018 secondi).
Titolo Autore(i) Anno Periodico Editore Tipo File
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 -
Adenine deactivation in DNA resolved at the CASPT2//CASSCF/AMBER level I. Conti; P. Altoe`; M. Stenta; M. Garavelli; G. Orlandi 2010-01-01 PHYSICAL CHEMISTRY CHEMICAL PHYSICS - 1.01 Articolo in rivista -
Asymmetric Phase-Transfer-Catalyzed Intramolecular N-Alkylation of Indoles and Pyrroles: A Combined Experimental and Theoretical Investigation M. Bandini; A. Bottoni; A. Eichholzer; G. P. Miscione; M. Stenta 2010-01-01 CHEMISTRY-A EUROPEAN JOURNAL - 1.01 Articolo in rivista -
Catalytic Mechanism of Diaminopimelate Epimerase: A QM/MM Investigation M. Stenta; M. Calvaresi; P. Altoè; D. Spinelli; M. Garavelli; R. Galeazzi; A. Bottoni 2009-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista -
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 -
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: 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 -
Common catalytic features among cofactor independent racemases and epimerases: A computational perspective Stenta M.; Altoe P.; Dal Peraro M.; Garavelli M.; Bottoni A. 2010-01-01 ABSTRACTS OF PAPERS - AMERICAN CHEMICAL SOCIETY ACS 4.02 Riassunto (Abstract) -
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 -
Deciphering Intrinsic Deactivation/Isomerization Routes in a Phytochrome Chromophore Model P. Altoé; T. Climent; G. C. De Fusco; M. Stenta; A. Bottoni; L. Serrano-Andrés; M. Merchàn; G. Orlandi; M. Garavelli 2009-01-01 JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL - 1.01 Articolo in rivista -
A Novel Approach to the Evaluation of the Importance of Steric and Electronic Effects in SNAr Reactions: A Computational, Thermodynamic and 1H and 13C NMR Study of "Meisenheimer-Type" Adducts in the Benzo[b]thiophene Series. G. Consiglio; B. Cosimelli; S. Guernelli; C. Z. Lanza; F. Sancassan; D. Spinelli; M. Stenta. 2010-01-01 EUROPEAN JOURNAL OF ORGANIC CHEMISTRY - 1.01 Articolo in rivista -
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 -
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 -
Shedding a new light on photolyases: Accurate molecular modeling as a tool for undestanding DNA repairing enzymes Stenta M.; Dal Peraro M.; Garavelli M.; Altoe P.; Di Domenico M.; Bottoni A. 2010-01-01 ABSTRACTS OF PAPERS - AMERICAN CHEMICAL SOCIETY ACS 4.02 Riassunto (Abstract) -
Substituent effect on the electrochemical behaviour of some ortho-substituted (aryl)(2-nitrobenzo[b]thiophen-3-yl)amines. A combined experimental and computational study A. Bottoni; B. Cosimelli; E. Scavetta; D. Spinelli; R. Spisani; M. Stenta; D. Tonelli 2006-01-01 MOLECULAR PHYSICS - 1.01 Articolo in rivista -
Synthesis of Ethyl 5-Hydroxyisoxazolidine-4-carboxylates via Michael Addition/Intramolecular Hemiketalisation F. Benfatti; A. Bottoni; L. Gentilucci; M. Monari; E. Mosconi; M. Stenta; A. Tolomelli 2008-01-01 EUROPEAN JOURNAL OF ORGANIC CHEMISTRY - 1.01 Articolo in rivista -
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 -
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 -
The Catalytic Activity of Proline Racemase: a QM/MM Study M. Stenta; M. Calvaresi; P. Altoè; D. Spinelli; M. Garavelli; A. Bottoni 2008-01-01 JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL - 1.01 Articolo in rivista -
The cycloaddition reaction between alpha-bromo vinylketenes and imines: a combined experimental and theoretical study. F. Benfatti; A. Bottoni; G. Cardillo; S. Fabbroni; L. Gentilucci; M. Stenta; A. Tolomelli 2008-01-01 ADVANCED SYNTHESIS & CATALYSIS - 1.01 Articolo in rivista -