Ab initio crystal structure predictions for flexible hydrogen-bonded molecules. Part II. Accurate energy minimization

Journal of Computational Chemistry

Volumn 22, Issue 8, 2001, Pages 805-815

  Van Eijck, Bouke P ^a  

^a UTRECHT UNIVERSITY   (Netherlands)

Author keywords

Ab initio potentials; Crystal structure prediction; Energy minimization; Glycerol; Glycol

Indexed keywords

EID: 0035370370     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1046     Document Type: Article

References (10)

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