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Calculation of relative Raman intensities: I. Influence of CNDO/2 and LNDO parameters on the calculated intensities

โœ Scribed by W. Wiegeler; P. Bleckmann

Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
560 KB
Volume
65
Category
Article
ISSN
0022-2860

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The structural parameters and conformational stabilities of the trans (the CรˆCl 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