Influence of heteroligands on structural and dynamical properties of hydrated Cu2+: QM/MM MD simulations

Physical Chemistry Chemical Physics

Volumn 5, Issue 16, 2003, Pages 3418-3427

  Schwenk, Christian F ^a   Rode, Bernd M ^a  

^a UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; COPPER COMPLEX; COPPER ION; DIAMINE DERIVATIVE; LIGAND; MONOAMINE; WATER;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; HYDRATION; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; QUANTUM MECHANICS; SIMULATION;

EID: 0344976535     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b304898e     Document Type: Article

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