Molecular orbital and DFT studies on water exchange mechanisms of metal ions

Coordination Chemistry Reviews

Volumn 238-239, Issue , 2003, Pages 233-253

  Erras Hanauer, Hans ^a   Clark, Timothy ^a   Van Eldik, Rudi ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

DFT studies; Molecular orbital; Water exchange mechanisms

Indexed keywords

METAL ION;

AB INITIO CALCULATION; DENSITY; FORCE; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MONTE CARLO METHOD; REVIEW; SOLVATION; THEORY; WATER TRANSPORT;

EID: 0037994102     PISSN: 00108545     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-8545(02)00296-5     Document Type: Review

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