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The effects of fluorine and chlorine substitution on bond lengths in ethanes and disilanes: comparisons of ab initio and experimental information

✍ Scribed by B. Fodi; D.C. McKean; M.H. Palmer

Book ID
114140967
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
384 KB
Volume
500
Category
Article
ISSN
0166-1280

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The effect of fluorination on Nξ—»C and Pξ—»C double bonds. An AB initio study
✍ Hans-Georg Mack; Bernd Steger; Heinz Oberhammer πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 292 KB

The geometries of HN=CH2, HP=CH? and their fluorinated species were optimized at the SCF HF and MP2 levels using the GAUSSIAN 82 program (6-3 IG\*\* basis set). The structural effect of fluorination on the double bonds is compared with available experimental data.