Computational study of the hafnium (IV) ion in aqueous solution

Chemical Physics Letters

Volumn 501, Issue 4-6, 2011, Pages 292-295

  Messner, Christoph B ^a   Hofer, Thomas S ^a   Randolf, Bernhard R ^a   Rode, Bernd M ^a  

^a UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AQUEOUS SOLUTIONS; BOND FORCE; CHARGE FIELD; COMPUTATIONAL STUDIES; HYDRATION SHELL; HYDROLYSIS REACTION; QUANTUM MECHANICAL; SIMULATION TIME; STRUCTURE AND DYNAMICS; WATER MOLECULE;

ANGULAR DISTRIBUTION; BOND LENGTH; DISTRIBUTION FUNCTIONS; HAFNIUM COMPOUNDS; HYDRATION; IONS; MOLECULAR DYNAMICS; QUANTUM THEORY; REACTION KINETICS;

HAFNIUM;

EID: 78650841510     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.11.033     Document Type: Article

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