DEL FRATE, Gianluca
DEL FRATE, Gianluca
Scuola Normale Superiore
A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution
2018-01-01 Egidi, Franco; Giovannini, Tommaso; Del Frate, Gianluca; Lemler, Paul M; Vaccaro, Patrick Henry; Cappelli, Chiara
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations
2017-01-01 Macchiagodena, Marina; Del Frate, Gianluca; Brancato, Giuseppe; Chandramouli, Balasubramanian; Mancini, Giordano; Barone, Vincenzo
Development, validation and application of accurate molecular force fields for complex soft matter systems
2018-01-25 Del Frate, Gianluca
Effective Computational Route to Vibrational Optical Activity Spectra of Chiral Molecules in Aqueous Solution
2018-01-01 Giovannini, Tommaso; Del Frate, Gianluca; Lafiosca, Piero; Cappelli, Chiara
Fine-tuning of atomic point charges: classical simulations of pyridine in different environments
2017-01-01 Macchiagodena, Marina; Pagliai, Marco; Del Frate, Gianluca; Mancini, Giordano; Barone, Vincenzo
Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data
2016-01-01 Salvadori, Andrea; DEL FRATE, Gianluca; Marco, Pagliai; Barone, Vincenzo; Mancini, Giordano
Probing Liquid-Ordered and Disordered Phases in Lipid Model Membranes: A Combined Theoretical and Spectroscopic Study of a Fluorescent Molecular Rotor
2022-01-01 Del Frate, G.; Macchiagodena, M.; Akhunzada, M. J.; D'Autilia, F.; Catte, A.; Bhattacharjee, N.; Barone, V.; Cardarelli, F.; Brancato, G.
Tuning of dye optical properties by environmental effects: a QM/MM and experimental study
2016-01-01 DEL FRATE, Gianluca; Bellina, Fabio; Mancini, Giordano; Marianetti, Giulia; Minei, Pierpaolo; Pucci, Andrea; Barone, Vincenzo