PAGLIAI, MARCO
PAGLIAI, MARCO
Scuola Normale Superiore
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Computational Spectroscopy in Solution by Integration of Variational and Perturbative Approaches on Top of Clusterized Molecular Dynamics
2020-01-01 Mancini, G.; Del Galdo, S.; Chandramouli, B.; Pagliai, M.; Barone, V.
Development, validation, and pilot application of a generalized fluctuating charge model for computational spectroscopy in solution
2022-01-01 Barone, Vincenzo; Carnimeo, Ivan; Mancini, Giordano; Pagliai, Marco
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
| Titolo | Data di pubblicazione | Autori | Tipo | File |
|---|---|---|---|---|
| Computational Spectroscopy in Solution by Integration of Variational and Perturbative Approaches on Top of Clusterized Molecular Dynamics | 1-gen-2020 | Mancini G.Del Galdo S.Chandramouli B.Pagliai M.Barone V. | 1.1 Articolo in rivista | |
| Development, validation, and pilot application of a generalized fluctuating charge model for computational spectroscopy in solution | 1-gen-2022 | Barone, VincenzoCarnimeo, IvanMancini, GiordanoPagliai, Marco | 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 |