MACCHIAGODENA, MARINA

MACCHIAGODENA, MARINA  

Classe di Scienze Matematiche e Naturali  

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Titolo Data di pubblicazione Autori Tipo File
Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studies 2016 MACCHIAGODENA, MARINAMANCINI, GIORDANOBARONE, Vincenzo + 1.1 Articolo in rivista
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations 2017 Macchiagodena, MarinaDel Frate, GianlucaBrancato, GiuseppeChandramouli, BalasubramanianMancini, GiordanoBarone, Vincenzo 1.1 Articolo in rivista
Fine-tuning of atomic point charges: classical simulations of pyridine in different environments 2017 Macchiagodena, MarinaPagliai, MarcoDel Frate, GianlucaMancini, GiordanoBarone, Vincenzo 1.1 Articolo in rivista
New atomistic model of pyrrole with improved liquid state properties and structure 2018 Macchiagodena, MarinaMancini, GiordanoPagliai, MarcoBarone, Vincenzo + 1.1 Articolo in rivista
On the nature of charge-transfer excitations for molecules in aqueous solution: a polarizable QM/MM study 2018 Egidi, FrancoLO GERFO, GiuliaMacchiagodena, MarinaCappelli, Chiara 1.1 Articolo in rivista
Probing Liquid-Ordered and Disordered Phases in Lipid Model Membranes: A Combined Theoretical and Spectroscopic Study of a Fluorescent Molecular Rotor 2022 Del Frate G.Macchiagodena M.Catte A.Bhattacharjee N.Barone V.Cardarelli F.Brancato G. + 1.1 Articolo in rivista
Simulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling 2019 Giovannini, TommasoMacchiagodena, MarinaAmbrosetti, MatteoPUGLISI, ALESSANDRALafiosca, PieroLo Gerfo, GiuliaEgidi, FrancoCappelli, Chiara 1.1 Articolo in rivista