Nicola De Mitri
Nicola De Mitri
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J oyce and U lysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data
V Barone, I Cacelli, N De Mitri, D Licari, S Monti, G Prampolini
Physical Chemistry Chemical Physics 15 (11), 3736-3751, 2013
Analytical first and second derivatives for a fully polarizable QM/classical hamiltonian
F Lipparini, C Cappelli, G Scalmani, N De Mitri, V Barone
Journal of chemical theory and computation 8 (11), 4270-4278, 2012
Absorption and emission spectra of a flexible dye in solution: A computational time-dependent approach
N De Mitri, S Monti, G Prampolini, V Barone
Journal of chemical theory and computation 9 (10), 4507-4516, 2013
Systematic and automated development of quantum mechanically derived force fields: The challenging case of halogenated hydrocarbons
G Prampolini, M Campetella, N De Mitri, PR Livotto, I Cacelli
Journal of chemical theory and computation 12 (11), 5525-5540, 2016
Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach
M Pagliai, G Mancini, I Carnimeo, N De Mitri, V Barone
Journal of computational chemistry 38 (6), 319-335, 2017
Understanding the influence of surface solvation and structure on polymorph stability: a combined mechanochemical and theoretical approach
AM Belenguer, GI Lampronti, N De Mitri, M Driver, CA Hunter, ...
Journal of the American Chemical Society 140 (49), 17051-17059, 2018
Structural, dynamic and photophysical properties of a fluorescent dye incorporated in an amorphous hydrophobic polymer bundle
N De Mitri, G Prampolini, S Monti, V Barone
Physical Chemistry Chemical Physics 16 (31), 16573-16587, 2014
Evidences of long lived cages in functionalized polymers: Effects on chromophore dynamic and spectroscopic properties
G Prampolini, S Monti, N De Mitri, V Barone
Chemical Physics Letters 601, 134-138, 2014
Graphical Interfaces and Virtual Reality for Molecular Sciences
A Salvadori, D Licari, G Mancini, A Brogni, N De Mitri, V Barone
Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 2014
An Activatable Cancer-Targeted Hydrogen Peroxide Probe for Photoacoustic and Fluorescence Imaging
J Weber, L Bollepalli, AM Belenguer, M Di Antonio, N De Mitri, J Joseph, ...
Cancer research 79 (20), 5407-5417, 2019
Dataset for: An activatable cancer-targeted hydrogen peroxide probe for photoacoustic and fluorescence imaging
J Weber, L Bollepalli, A Belenguer, M Di Antonio, N De Mitri, J Joseph, ...
Interazione tra onde acustiche di superficie e microparticelle in sistemi microfluidici integrati
Modellizzazione coarse grained: strategie di riduzione del bias
N De Mitri
Un’implementazione compilata dell’algoritmo di Shor
N De Mitri
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