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The effect of fluorination on NC and PC double bonds. An AB initio study

✍ Scribed by Hans-Georg Mack; Bernd Steger; Heinz Oberhammer

Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
292 KB
Volume
129
Category
Article
ISSN
0009-2614

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✦ Synopsis

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.

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