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Halogen effects on the electronic characteristics of CC, NC and PC bonds

✍ Scribed by Valeri I. Kharchenko; Leonid N. Alexeiko; Vladimir V. Penkovsky; Sergei A. Pavlenko; Alexei V. Kashim

Book ID
113257209
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
542 KB
Volume
233
Category
Article
ISSN
0166-1280

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The effect of fluorination on NC and P
The effect of fluorination on NC and PC double bonds. An AB initio study
✍ Hans-Georg Mack; Bernd Steger; Heinz Oberhammer 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 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.