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Conformations and non-covalent interactions of cyclohexyl isothiocyanate and its water complex

Yugao Xu1, Tingting Yang1, Tao Lu1

  • 1School of Chemistry and Chemical Engineering, Chongqing University, Daxuecheng South Rd. 55, Chongqing 401331, China.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|March 17, 2023
PubMed

Keywords:
Conformational analysisDensity functional theory calculationsHydrogen bondMolecular complexRotational spectroscopy

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