Relativistic effects and the halogen dependencies in the 13C chemical shifts of CH4-nIn, CH4-nBrn, CCl4-nIn, and CBr4-nIn (n = 0-4)

Journal of Computational Chemistry

Volumn 22, Issue 5, 2001, Pages 528-536

  Fukawa, Shuhei ^a   Hada, Masahiko ^a   Fukuda, Ryoichi ^a   Tanaka, Shinji ^a   Nakatsuji, Hiroshi ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

Chemical shift; GUHF method; Halogen dependence of methyl halides; Relativistic effect; Spin orbit interaction

Indexed keywords

EID: 0035871702     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/1096-987X(20010415)22:5<528::AID-JCC1024>3.0.CO;2-9     Document Type: Article

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