Si-O bonded interactions in silicate crystals and molecules: A comparison

Journal of Physical Chemistry A

Volumn 110, Issue 46, 2006, Pages 12678-12683

  Gibbs, G V ^a   Jayatilaka, D ^c   Spackman, M A ^c   Cox, D F ^b   Rosso, K M ^d  

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

^b State University   (United States)

^c UNIVERSITY OF WESTERN AUSTRALIA   (Australia)

^d PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BONDED INTERACTIONS; GAS PHASE MOLECULES; HYDROXYACID SILICATE MOLECULES; LOCAL ENERGY DENSITY;

CARRIER CONCENTRATION; CHEMICAL BONDS; CRYSTALLINE MATERIALS; KINETIC ENERGY; MOLECULAR DYNAMICS; POTENTIAL ENERGY; REACTION KINETICS; VECTORS;

SILICATES;

EID: 33846044045     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp063881q     Document Type: Article

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