SINHA, Sourab
SINHA, Sourab
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Enhancing the accuracy of ab initio molecular dynamics by fine tuning of effective two-body interactions: acetonitrile as a test case
2021 Barbosa, N.; Pagliai, M.; Sinha, S.; Barone, V.; Alfe, D.; Brancato, G.
Fine tuning the intermolecular interactions of water clusters using dispersion-corrected density functional theory
2023 Ferretti, Alfonso; Canal, Laura; Sorodoc, Robert Andrei; Sinha, Sourab; Brancato, Giuseppe
One-step functionalization of mildly and strongly reduced graphene oxide with maleimide: An experimental and theoretical investigation of the Diels-Alder [4+2] cycloaddition reaction
2022 Ferretti, A.; Sinha, S.; Sagresti, L.; Araya-Hermosilla, E.; Prato, M.; Mattoli, V.; Pucci, A.; Brancato, G.
| Titolo | Data di pubblicazione | Autori | Tipo | File |
|---|---|---|---|---|
| Enhancing the accuracy of ab initio molecular dynamics by fine tuning of effective two-body interactions: acetonitrile as a test case | 2021 | Sinha S.Barone V.Brancato G. + | 1.1 Articolo in rivista | |
| Fine tuning the intermolecular interactions of water clusters using dispersion-corrected density functional theory | 2023 | Ferretti, AlfonsoSinha, SourabBrancato, Giuseppe + | 1.1 Articolo in rivista | |
| One-step functionalization of mildly and strongly reduced graphene oxide with maleimide: An experimental and theoretical investigation of the Diels-Alder [4+2] cycloaddition reaction | 2022 | Ferretti A.Sinha S.Sagresti L.Prato M.Pucci A.Brancato G. + | 1.1 Articolo in rivista |