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 (bibtex)
by Ioannis Skarmoutsos, Ricardo L. Mancera, Stefano Mossa and Jannis Samios
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Reference:
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 (Ioannis Skarmoutsos, Ricardo L. Mancera, Stefano Mossa and Jannis Samios), In Journal of Molecular Liquids, volume 365, 2022.
Bibtex Entry:
@article{doi:10.1016/j.molliq.2022.120085,
        call={pr002},
        acronym={FPMDCISTRANS},
        fulltitle={First-principles Molecular Dynamics Simulations of the cis-trans N-Methylformamide liquid mixture. },
        pi={Ioannis Samios},
        affiliation={National and Kapodistrian University of Athens},
        researchfield={Chemical Sciences and Materials},
	title = {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 = {Journal of Molecular Liquids},
	volume = {365},
	pages = {120085},
	year = {2022},
	bibyear = {2022},
	issn = {0167-7322},
	doi = {10.1016/j.molliq.2022.120085},
	url = {https://www.sciencedirect.com/science/article/pii/S0167732222016233},
	author = {Ioannis Skarmoutsos and Ricardo L. Mancera and Stefano Mossa and Jannis Samios},
}