Experimental bond critical point and local energy density properties determined for Mn-O, Fe-O, and Co-O bonded interactions for tephroite, Mn 2SiO4, fayalite, Fe2SiO4, and Co2SiO4 olivine and selected organic metal complexes: Comparison with properties calculated for non-transition and transition metal M-O bonded interactions

Journal of Physical Chemistry A

Volumn 112, Issue 37, 2008, Pages 8811-8823

  Gibbs, G V ^a   Downs, R T ^c   Cox, D F ^b   Rosso, K M ^d   Ross, N L ^a   Kirfel, A ^e   Lippmann, T ^f   Morgenroth, W ^g   Crawford, T D ^a  

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

^b State University   (United States)

^c University of Arizona   (United States)

^d PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^e UNIVERSITY OF BONN   (Germany)

^f INSTITUTE OF MATERIALS RESEARCH   (Germany)

^g DESY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BOND CRITICAL POINTS; BONDED INTERACTIONS; ELECTRON DENSITIES; EXPERIMENTAL MODELING; LOCAL ENERGIES; QUANTUM MECHANICAL METHODS;

COBALT; COBALT COMPOUNDS; EQUATIONS OF STATE; MANGANESE COMPOUNDS; MECHANICAL PROPERTIES; SILICATES; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

MANGANESE;

EID: 53149088257     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp804280j     Document Type: Article

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