Theoretical studies on redox properties, protonation sites, and electronic spectrum of a new type of polyoxometalate [Ti12Nb6O 44]10- by dft

International Journal of Quantum Chemistry

Volumn 109, Issue 7, 2009, Pages 1560-1565

  Si, Yan Ling ^a,b   Chen, Wei Lin ^a   Wang, En Bo ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

^b JILIN AGRICULTURAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BRIDGING OXYGEN; CONDUCTOR LIKE SCREENING MODELS; ELECTRONIC SPECTRUM; INTRA-MOLECULAR CHARGE TRANSFER; POLYOXOMETALATE; PROTONATED; PROTONATION SITE; REDOX PROPERTY; SOLVENT EFFECTS; SPIN DENSITIES; THEORETICAL STUDY;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ION EXCHANGE; ISOMERS; OXYGEN; PROTONATION; SULFUR COMPOUNDS; TITANIUM;

NIOBIUM;

EID: 67649770519     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21982     Document Type: Article

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