Density-functional theory study of iron(III) hydrolysis in aqueous solution

Journal of Physical Chemistry A

Volumn 110, Issue 24, 2006, Pages 7713-7718

  De Abreu, Heitor Avelino ^a   Guimarães, Luciana ^a   Duarte, Hélio Anderson ^a  

^a FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; HYDROLYSIS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SOLUTIONS;

DENSITY-FUNCTIONAL METHODS (DFT); ELECTRONIC CALCULATION; SPECIFIC INTERACTIONS; UAHF-PCM METHOD;

IRON COMPOUNDS;

IRON; SOLVENT; WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DIMERIZATION; ENERGY TRANSFER; HYDROLYSIS;

COMPUTER SIMULATION; DIMERIZATION; ENERGY TRANSFER; HYDROLYSIS; IRON; MODELS, CHEMICAL; MOLECULAR STRUCTURE; SOLVENTS; WATER;

EID: 33745773922     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp060714h     Document Type: Article

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