Strain energies of cubane derivatives with different substituent groups

Journal of Hazardous Materials

Volumn 151, Issue 1, 2008, Pages 255-260

  Fan, Xiao Wei ^a   Ju, Xue Hai ^a   Xia, Qi Ying ^a,b   Xiao, He Ming ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b LINYI UNIVERSITY   (China)

Author keywords

Cubane derivatives; DFT B3LYP; Homodesmotic reaction; Isodesmotic reaction; Strain energy

Indexed keywords

CAGED CUBANE SKELETON; HOMODESMOTIC REACTION; POLYDIFLUOROAMINOCUBANE; POLYNITROCUBANE;

COMPUTATIONAL METHODS; DERIVATIVES; OPTIMIZATION;

STRAIN ENERGY;

AZIDE; CUBANE DERIVATIVE; FUNCTIONAL GROUP; NITRO DERIVATIVE; POLYAZIDOCUBANE; POLYDIFLUOROAMINOCUBANE; POLYNITRATOCUBANE; POLYNITROCUBANE; UNCLASSIFIED DRUG;

COMPUTATIONAL METHODS; DERIVATIVES; OPTIMIZATION; STRAIN ENERGY;

ELECTRON; ENERGY; GEOMETRY; HYDROCARBON; SKELETON;

ARTICLE; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL REACTION; ELECTRON; ENERGY; GEOMETRY;

BRIDGED COMPOUNDS; MOLECULAR STRUCTURE;

EID: 38349037642     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2007.05.075     Document Type: Article

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