Investigation of hydrogen bonded structure of urea-water mixtures through Infra-red spectroscopy and non-covalent interaction (NCI) theoretical approach

Computational and Theoretical Chemistry（2021）

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摘要

Reduced density gradient analysis (RDG) to know weak and strong interaction in urea-(H2O)4 complex.

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关键词

Urea-water mixtures,DFT,NCI-RDG analysis,IR spectroscopy,Hydrogen bonding

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