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Ab initio calculation of intensity parameters

✍ Scribed by M.F Reid; Betty Ng; D.J Newman

Book ID
116015842
Publisher
Elsevier Science
Year
1986
Weight
77 KB
Volume
126
Category
Article
ISSN
0022-5088

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Ab initio calculation of the conformatio
Ab initio calculation of the conformational stability, vibrational wavenumbers, Raman and infrared intensities and structural parameters of chloromethyldichlorophosphine
✍ J. R. Durig; Jinpeng Xiao; J. B. Robb II; F. F. D. Daeyaert πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 318 KB πŸ‘ 2 views

The structural parameters and conformational stabilities of the trans (the CÈCl bond is trans to the phosphorus lone pair) and gauche rotamers of chloromethyldichlorophosphine, were obtained from ab initio cal-ClCH 2 PCl 2 , culations up to the MP2/6-311 + G\*\* level. In each case the gauche form w