Low-barrier hydrogen bonds: Ab initio and DFT investigation

Journal of Computational Chemistry

Volumn 19, Issue 12, 1998, Pages 1345-1352

  Kumar, Ganesh A ^a   Pan, Yongping ^a   Smallwood, C Jay ^a   McAllister, Michael A ^a  

^a UNIVERSITY OF NORTH TEXAS   (United States)

Author keywords

Ab initio calculations; Density functional calculations; Enzyme catalysis; Hydrogen bonding; Low barrier hydrogen bonds

Indexed keywords

EID: 84962460761     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199809)19:12<1345::AID-JCC3>3.0.CO;2-I     Document Type: Article

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