Use of Theoretical Descriptors to Characterize Cation-π Binding Sites in (Macro)molecules

Journal of Computational Chemistry

Volumn 21, Issue 10, 2000, Pages 847-855

  Wouters, Johan ^a  

^a UNIVERSITY OF NAMUR   (Belgium)

Author keywords

Cation ; DFT B3LYP 6 31G**; Force field; GRID; Polarization effects

Indexed keywords

EID: 0001485848     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/1096-987X(20000730)21:10<847::AID-JCC3>3.0.CO;2-8     Document Type: Article

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