Ab initio conformational studies on diols and binary diol-water systems using DFT methods. Intramolecular hydrogen bonding and 1:1 complex formation with water

Journal of Computational Chemistry

Volumn 23, Issue 6, 2002, Pages 585-599

  Klein, Roger A ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

AIM theory; Bond critical point; Density functional theory; Diols; Hydrogen bonding

Indexed keywords

EID: 0037197673     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10053     Document Type: Article

References (51)