Theoretical study of two C50H40 isomers with three dodecahedrane cages sharing two pentagons

International Journal of Quantum Chemistry

Volumn 103, Issue 2, 2005, Pages 167-175

  Liu, Feng Ling ^a   Peng, Ling ^a   Zhao, Jian Xia ^a   Wang, Shou Qing ^b  

^a SHANDONG NORMAL UNIVERSITY   (China)

^b Department of Chemistry   (China)

Author keywords

B3LYP 6 31G*; Coplanar tridodecahedrane cage molecule C50H40; Heat of formation; Vertical ionization energy; Vibrational frequency

Indexed keywords

CARBON; FULLERENES; HEATING; IONIZATION; MOLECULAR VIBRATIONS; STABILITY;

COPLANAR TRIDODECAHEDRANE-CAGE MOLECULE C50H40; HEAT OF FORMATION; VERTICAL IONIZATION ENERGY; VIBRATIONAL FREQUENCY;

ISOMERS;

EID: 19944400845     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20499     Document Type: Article

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