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ALTOE', PIERO

ALTOE', PIERO  

DIP. DI CHIMICA "G.CIAMICIAN"  

ALTOE P.; PIERO ALTOE`; P. ALTOE  

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Risultati 1 - 13 di 13 (tempo di esecuzione: 0.02 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 -
An aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of Bacteriorhodopsin proton-pumping P. Altoè; A. Cembran; M. Olivucci; M. Garavelli 2010-01-01 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - 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 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations GARAVELLI, NENOV, RIVALTA, WEINGART, ALTOE', SEGARRA-MARTI, DOKUKINA IRINA 2018-01-01 JOURNAL OF MOLECULAR MODELING - 1.01 Articolo in rivista -
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) -
Conical intersection dynamics of the primary photoisomerization event in vision D. Polli; Piero Altoe`; O. Weingart; K. M. Spillane; C. Manzoni; D. Brida; G. Tomasello; G. Orlan...di; P. Kukura; R. A. Mathies; M. Garavelli; G. Cerullo 2010-01-01 NATURE - 1.01 Articolo in rivista -
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. Or...landi; M. Garavelli 2009-01-01 JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL - 1.01 Articolo in rivista -
Electrostatic control of the photoisomerization efficiency and optical properties in visual pigments: on the role of counterion quenching. G. Tomasello; G. Olaso-Gonzalez; P. Altoè; M. Stenta; L. Serrano-Andrès; M. Merchan; G. Orlandi; ...A. Bottoni; M. Garavelli 2009-01-01 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - 1.01 Articolo in rivista -
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) -
Solvent effect on the vibrational activity and photodynamics of the Green Fluorescent Protein Chromophore: a Quantum-Chemical Study. P. ALTOE; F. BERNARDI; M. GARAVELLI; ORLANDI G.; F. NEGRI 2005-01-01 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - 1.01 Articolo in rivista -
Spectroscopic Properties of Formaldehyde in Aqueous Solution: Insights from Car−Parrinello and TDDFT/CASPT2 Calculations P. Lupieri; E. Ippoliti; P. Altoe’; M. Garavelli; M. Mwalaba; P. Carloni 2010-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista -
Structure, Spectroscopy, and Spectral Tuning of the Gas-Phase Retinal Chromophore: The beta-Ionone "Handle" and Alkyl Group Effect Cembran A.; Gonzalez-Luque R.; Altoe P.; Merchan M.; Bernardi F.; Olivucci M.; Garavelli M. 2005-01-01 JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY - 1.01 Articolo in rivista -
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 -