Many-body effects in combined quantum mechanical/molecular mechanical simulations of the hydrated manganous ion

Journal of Physical Chemistry A

Volumn 106, Issue 41, 2002, Pages 9529-9532

  Loeffler, Hannes H ^a   Yagüe, Jorge Iglesias ^a   Rode, Bernd M ^a  

^a UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

HYDRATED MANGANOUS IONS; MANY BODY EFFECTS; RADIAL DISTRIBUTION FUNCTIONS; RELATIVISTIC COMPACT EFFECTIVE POTENTIALS; THREE-BODY CORRECTION FUNCTION;

COMPUTER SIMULATION; HAMILTONIANS; HYDROGEN BONDS; MANGANESE; MOLECULAR DYNAMICS; MOLECULES; PERTURBATION TECHNIQUES; QUANTUM THEORY; WATER;

IONS;

EID: 0037126426     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp020443k     Document Type: Article

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