Structure and stability of (TiO2)n, (SiO 2)n, and mixed TimSin-mO 2n [n = 2-5, m = 1 to (n - 1)] clusters

Journal of Physical Chemistry A

Volumn 115, Issue 5, 2011, Pages 868-879

  Bandyopadhyay, Indrajit ^a   Aikens, Christine M ^a  

^a KANSAS STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CCSD; COMPACT STRUCTURES; COUPLED-CLUSTER SINGLES; DOUBLE EXCITATIONS; EQUATION OF MOTION COUPLED CLUSTERS; HEXAVALENT STATE; LINEAR CHAIN; OXIDE CLUSTERS; STABLE ISOMERS; STABLE STRUCTURES; TETRAVALENT STATE; TIME-DEPENDENT; TIO; VIBRATIONAL ANALYSIS;

ISOMERS; NUMERICAL METHODS; SILICON; SILICON COMPOUNDS; STOICHIOMETRY; THREE DIMENSIONAL;

DENSITY FUNCTIONAL THEORY;

EID: 79851490016     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp109412u     Document Type: Article

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