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Mostrati risultati da 1 a 8 di 8
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian
2012 Filippo, Lipparini; Cappelli, Chiara; Giovanni, Scalmani; DE MITRI, Nicola; Barone, Vincenzo
Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data
2013 Barone, Vincenzo; Ivo, Cacelli; DE MITRI, Nicola; Licari, Daniele; Susanna, Monti; Giacomo, Prampolini
Absorption and Emission Spectra of a Flexible Dye in Solution: A Computational Time-Dependent Approach
2013 DE MITRI, Nicola; Susanna, Monti; Giacomo, Prampolini; Barone, Vincenzo
Graphical Interfaces and Virtual Reality for Molecular Sciences
2014 Salvadori, A.; Licari, D.; Mancini, G.; Brogni, A.; De Mitri, N.; Barone, V.
Evidences of long lived cages in functionalized polymers: Effects on chromophore dynamic and spectroscopic properties
2014 Giacomo, Prampolini; Susanna, Monti; DE MITRI, Nicola; Barone, Vincenzo
Structural, dynamic and photophysical properties of a fluorescent dye incorporated in an amorphous hydrophobic polymer bundle
2014 DE MITRI, Nicola; Prampolini, Giacomo; Monti, S; Barone, Vincenzo
Integrated QM/MM approaches to the study of structure, dynamics and optical properties of molecules in complex environments
2015 DE MITRI, Nicola
Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach
2017 Pagliai, Marco; Mancini, Giordano; Carnimeo, Ivan; DE MITRI, Nicola; Barone, Vincenzo
Mostrati risultati da 1 a 8 di 8
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