A Mixed Quantum-Classical Approach for Computing Effects of Intramolecular Motion on the Low-Barrier Hydrogen Bond

Structural Chemistry

Volumn 12, Issue 1, 2001, Pages 23-31

  Ventura, Kelly M ^a   Greene, Shannon N ^a   Halkides, Christopher J ^a   Messina, Michael ^a  

^a UNIVERSITY OF NORTH CAROLINA WILMINGTON   (United States)

Author keywords

Fractionation factor; Intramolecular; Low barrier hydrogen bond; Potential of mean force

Indexed keywords

EID: 0002599793     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1009206000974     Document Type: Article

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