Efficient Geometry Optimization of Molecular Clusters

Journal of Computational Chemistry

Volumn 21, Issue 1, 2000, Pages 69-76

  Baker, Jon ^a   Pulay, Peter ^a  

^a UNIVERSITY OF ARKANSAS   (United States)

Author keywords

Cluster coordinates; Delocalized internal coordinates; Geometry optimization; Molecular clusters; Rigid body optimization

Indexed keywords

EID: 0001998067     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(20000115)21:1<69::AID-JCC8>3.0.CO;2-G     Document Type: Article

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