Theoretical electron density distributions for Fe- and Cu-sulfide earth materials: A connection between bond length, bond critical point properties, local energy densities, and bonded interactions

Journal of Physical Chemistry B

Volumn 111, Issue 8, 2007, Pages 1923-1931

  Gibbs, G V ^a   Cox, D F ^b   Rosso, K M ^c   Ross, N L ^a   Downs, R T ^d   Spackman, M A ^e  

^a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

^b State University   (United States)

^c PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^d University of Arizona   (United States)

^e UNIVERSITY OF WESTERN AUSTRALIA   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

BOND LENGTH; CARRIER CONCENTRATION; CONCENTRATION (PROCESS); OXIDATION; POTENTIAL ENERGY;

BOND CRITICAL POINT; ENERGY DENSITY; METAL SULFIDES; POTENTIAL ENERGY DENSITY;

IRON COMPOUNDS;

EID: 33947408792     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp065086i     Document Type: Article

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