Ab initio study on the strain and stability of the possible isomers of C40 and C40H40

Journal of Molecular Structure: THEOCHEM

Volumn 579, Issue 1-3, 2002, Pages 91-99

  Yang, Xia ^a   Wang, Guichang ^a   Yang, Zuoyin ^a   Shang, Zhenfeng ^a   Cai, Zunsheng ^a   Pan, Yinming ^a   Wu, Benxiang ^a   Zhao, Xuezhuang ^a  

^a NANKAI UNIVERSITY   (China)

Author keywords

Ab initio method; C40; C40H40; Orbital population; Orbital axis vector

Indexed keywords

CARBON; HYDROGEN;

ARTICLE; CALCULATION; CHEMICAL BINDING; CHEMICAL STRUCTURE; HYBRIDIZATION; ISOMER; MOLECULAR STABILITY; STRUCTURE ANALYSIS; THERMODYNAMICS;

EID: 0036498499     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(01)00719-9     Document Type: Article

References (15)