The structures and properties of tetrafluoromethane, hexafluoroethane, and octafluoropropane using the AIMPRO density functional program

Journal of Fluorine Chemistry

Volumn 121, Issue 2, 2003, Pages 193-199

  Zoellner, Robert W ^a   Latham, C D ^b   Goss, J P ^c   Golden, William G ^a   Jones, R ^b   Briddon, P R ^c  

^a HUMBOLDT STATE UNIVERSITY   (United States)

^b UNIVERSITY OF EXETER   (United Kingdom)

^c NEWCASTLE UNIVERSITY   (United Kingdom)

Author keywords

AIMPRO; Conformational minima; Density functional theory; DFT; Hexafluoroethane; Octafluoropropane; Perfluoroalkane; Structure; Tetrafluoromethane; Vibrational spectra

Indexed keywords

ALKANE DERIVATIVE; FLUOROMETHANE; OCTAFLUOROPROPANE;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DENSITY; ENERGY YIELD; GEOMETRY; MATHEMATICAL COMPUTING; MOLECULAR WEIGHT; PHYSICAL CHEMISTRY; VIBRATION;

EID: 0038671967     PISSN: 00221139     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-1139(03)00015-0     Document Type: Article

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