Using Fractal to Solve the Multiple Minima Problem in Molecular Mechanics Calculation

Journal of Computational Chemistry

Volumn 21, Issue 12, 2000, Pages 1101-1108

  Xu, Y Z ^a   Ouyang, Q ^a   Wu, J G ^a   Yorke, J A ^b   Xu, G X ^a   Xu, D F ^c   Soloway, R D ^d   Ren, J Q ^e  

^a PEKING UNIVERSITY   (China)

^b UMCP   (United States)

^c INSTITUTE OF CHEMISTRY   (China)

^d UNIVERSITY OF TEXAS MEDICAL BRANCH   (United States)

^e NONE

Author keywords

Conformer; Fractal basin boundaries; MM3; Molecular mechanics; Pentential surface

Indexed keywords

EID: 0347746698     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/1096-987X(200009)21:12<1101::AID-JCC6>3.0.CO;2-V     Document Type: Article

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