Quantum Nature of Ubiquitous Vibrational Features Revealed for Ethylene Glycol
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DOI: 10.1021/acs.jctc.5c00173
Abstract: Vibrational properties of molecules are of widespread interest and importance in chemistry and biochemistry. The reliability of widely employed approximate computational methods is questioned here against the complex experimental spectrum of ethylene glycol. Comparisons between… read more here.
Keywords: ethylene glycol; vscf vci; nature ubiquitous; quantum nature ... See more keywords