Cluster model for the ionic product of water: Accuracy and limitations of common density functional methods

Journal of Physical Chemistry A

Volumn 110, Issue 29, 2006, Pages 9194-9199

  Svozil, Daniel ^a   Jungwirth, Pavel ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

BENCHMARKING; ELECTRON TRANSITIONS; EXTRAPOLATION; IONIZATION; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

AUTOIONIZATION OF WATER; AUTOIONIZED STRUCTURE; HYBRID FUNCTIONALS; MOLECULAR MECHANICS;

WATER ANALYSIS;

EID: 33746888654     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0614648     Document Type: Article

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