Local intermolecular structure, hydrogen bonding and related dynamics in the liquid cis/trans N-methylformamide mixture: A density functional theory based Born-Oppenheimer molecular dynamics study - Archive ouverte HAL
Article Dans Une Revue Journal of Molecular Liquids Année : 2022

Local intermolecular structure, hydrogen bonding and related dynamics in the liquid cis/trans N-methylformamide mixture: A density functional theory based Born-Oppenheimer molecular dynamics study

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Science des matériaux [cond-mat.mtrl-sci]

Stefano Mossa  : Connectez-vous pour contacter le contributeur

https://hal.science/hal-04563110

Soumis le : lundi 29 avril 2024-15:49:15

Dernière modification le : mercredi 18 décembre 2024-10:06:58

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hal-04563110 , version 1 (29-04-2024)

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Ioannis Skarmoutsos, Ricardo Mancera, Stefano Mossa, Jannis Samios. Local intermolecular structure, hydrogen bonding and related dynamics in the liquid cis/trans N-methylformamide mixture: A density functional theory based Born-Oppenheimer molecular dynamics study. Journal of Molecular Liquids, 2022, 365, pp.120085. ⟨10.1016/j.molliq.2022.120085⟩. ⟨hal-04563110⟩

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