Structure and relative stability of drum-like C4nN2n (w = 3-8) cages and their hydrogenated products C4nH 4nN2n (n = 3-8) cages

Journal of Physical Chemistry A

Volumn 112, Issue 46, 2008, Pages 11724-11730

  Shi, Liang Wei ^a   Chen, Bin ^b   Zhou, Jun Hong ^b   Zhang, Tao ^b   Kang, Qiang ^b   Chen, Min Bo ^a,b  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGENATION; MOLECULAR ORBITALS; THERMOCHEMISTRY;

CAGE EFFECTS; DFT B3LYP/6; HEAT OF FORMATIONS; HIGH ENERGY DENSITIES; MOLECULAR STABILITIES; RELATIVE STABILITIES; VIBRATIONAL FREQUENCIES;

CHEMICAL STABILITY;

EID: 57149143980     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp801501g     Document Type: Article

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