Molecular structures of (trifluoromethyl)iodine dihalides CF3IX2 (X = F, Cl): Ab initio and DFT calculations

Journal of Molecular Structure: THEOCHEM

Volumn 587, Issue 1-3, 2002, Pages 1-8

  Choo, Jaebum ^a   Kim, Sunghwan ^b   Joo, Hyun ^b   Kwon, Younghi ^b  

^a Hanyang University   (South Korea)

^b Hanyang University   (South Korea)

Author keywords

(Trifluoromethyl)iodine dihalides; Ab initio method; Density functional theory method

Indexed keywords

(TRIFLUOROMETHYL)IODINE; CHLORINE; FLUORINE; HALIDE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; ENERGY TRANSFER; MOLECULAR INTERACTION; MOLECULAR STABILITY; ROTATION; STRUCTURE ANALYSIS; VIBRATION;

EID: 0037025225     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00107-0     Document Type: Article

References (25)