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 1-gen-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 1-gen-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 1-gen-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 1-gen-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 1-gen-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 1-gen-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 1-gen-2019 Giovannini, TommasoMacchiagodena, MarinaAmbrosetti, MatteoPUGLISI, ALESSANDRALafiosca, PieroLo Gerfo, GiuliaEgidi, FrancoCappelli, Chiara 1.1 Articolo in rivista