AC
Antoine Carof
67%
Libre accès
3
Documents
Affiliations actuelles
- 525770
Identifiants chercheurs
- antoine-carof
- 0000-0003-1896-3094
- IdRef : 189709790
Domaines de recherche
Chimie théorique et/ou physique
Publications
- 3
- 3
- 1
- 1
- 1
- 1
- 3
Structural and Vibrational Properties of Carboxylates Intercalated into Layered Double Hydroxides: A Joint Computational and Experimental StudyMolecules, 2024, 29 (8), pp.1853. ⟨10.3390/molecules29081853⟩
Article dans une revue
hal-04552162v1
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Tautomeric contributions to the absorption spectrum of [2,2′-bipyridyl]-3,3′-diol in water unveiled by molecular dynamics with accurate quantum mechanically derived force-fieldsJournal of Molecular Liquids, 2024, 396, pp.123898. ⟨10.1016/j.molliq.2023.123898⟩
Article dans une revue
hal-04384063v1
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Hydration effects on the vibrational properties of carboxylates: From continuum models to QM/MM simulationsJournal of Computational Chemistry, 2023, 44 (23), pp.1898-1911. ⟨10.1002/jcc.27171⟩
Article dans une revue
hal-04153406v1
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