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• W3209700587 abstract "The article presents the results of a study on the formation of molecular clusters of dimethylformamide. The intermolecular interactions of isolated molecular clusters have been simulated by B3LYP/(6-31G++(d,p) method. It is shown that hydrogen bonding and resonant transfer of vibrational energy play an important role in the formation of molecular clusters by dimethylformamide molecules. Methyl and aldehyde groups of a DMF molecule act as proton donors in the formation of molecular clusters, CO is a strong acceptor. It was shown that in solutions of DMF with water, an H-bond is formed between the oxygen of NCOH group and the hydrogen atom of water." @default.
• W3209700587 created "2021-11-08" @default.
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• W3209700587 date "2021-11-01" @default.
• W3209700587 modified "2023-09-30" @default.
• W3209700587 title "Raman spectra and non-empirical calculations of dimethylformamide molecular clusters structure" @default.
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• W3209700587 doi "https://doi.org/10.1016/j.vibspec.2021.103315" @default.
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