Internal rotations in the difluorobutadiene and tetrafluorobutadiene molecules: A DFT B3LYP study

Journal of Molecular Structure: THEOCHEM

Volumn 683, Issue 1-3, 2004, Pages 71-79

  Xi, Hong Wei ^a   Li, Wen Zuo ^a   Liu, Feng Ling ^b   Huang, Ming Bao ^a  

^a INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^b SHANDONG NORMAL UNIVERSITY   (China)

Author keywords

B3LYP; Difluorobutadiene; Internal rotation; Tetrafluorobutadiene

Indexed keywords

1,1,4,4 TETRAFLUOROBUTADIENE; 1,2,3,4 TETRAFLUOROBUTADIENE; 1,3 BUTADIENE; 1,4 DIFLUOROBUTADIENE; 2,3 DIFLUOROBUTADIENE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL BOND; CONFORMATION; DENSITY FUNCTIONAL THEORY; ENERGY; GEOMETRY; MOLECULE; PREDICTION;

EID: 4544229046     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.06.014     Document Type: Article

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