Structure and stability of neutral polyoxometalate cages: (Mo2 O6)m (m=1-13)

Journal of Molecular Modeling

Volumn 12, Issue 5, 2006, Pages 551-558

  Zhang, Fu Qiang ^a,b   Wu, Hai Shun ^b   Xu, Yuan Yuan ^b   Li, Yong Wang ^a   Jiao, Haijun ^a,c  

^a INSTITUTE OF COAL CHEMISTRY   (China)

^b SHANXI NORMAL UNIVERSITY   (China)

^c UNIVERSITY OF ROSTOCK   (Germany)

Author keywords

DFT; Keggin; Neutral cage; POM; Stability

Indexed keywords

FULLERENE; METAL DERIVATIVE; MOLYBDENUM COMPLEX; POLYOXOMETALATE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; ISOMERISM; MATHEMATICAL MODEL; MOLECULAR SIZE; MOLECULAR STABILITY; PREDICTION; PRIORITY JOURNAL; STRUCTURE ANALYSIS; VALIDATION PROCESS;

ELECTRONS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLYBDENUM; OXIDES;

EID: 33746405159     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-006-0108-0     Document Type: Article

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