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The trans effect of lone pairs on individual X-H bonds (X = C or N). An ab initio study

✍ Scribed by N.B. da Costa Jr.; A.J.A. Aquino; M.N. Ramos; C. Castiglioni; G. Zerbi

Book ID
113258521
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
605 KB
Volume
305
Category
Article
ISSN
0166-1280

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The effect of fluorination on Nξ—»C and Pξ—»
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.