MACCHIAGODENA, MARINA
MACCHIAGODENA, MARINA
Classe di Scienze Matematiche e Naturali
Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studies
2016-01-01 Macchiagodena, Marina; Mancini, Giordano; Pagliai, Marco; Barone, Vincenzo
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
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
New atomistic model of pyrrole with improved liquid state properties and structure
2018-01-01 Macchiagodena, Marina; Mancini, Giordano; Pagliai, Marco; Cardini, Gianni; Barone, Vincenzo
On the nature of charge-transfer excitations for molecules in aqueous solution: a polarizable QM/MM study
2018-01-01 Egidi, Franco; LO GERFO, Giulia; Macchiagodena, Marina; Cappelli, Chiara
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.
Simulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling
2019-01-01 Giovannini, Tommaso; Macchiagodena, Marina; Ambrosetti, Matteo; Puglisi, Alessandra; Lafiosca, Piero; Lo Gerfo, Giulia; Egidi, Franco; Cappelli, Chiara