𝔖 Bobbio Scriptorium
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Electronic structure of phenyl cation by MC SCF ab initio calculations

✍ Scribed by F. Bernardi; F. Grandinetti; A. Guarino; M.A. Robb


Book ID
107733054
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
272 KB
Volume
153
Category
Article
ISSN
0009-2614

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## Abstract An __ab initio__ SCF calculation of 42 points of the energy hypersurface of the fluoronium ion is presented using a contracted F(5__s__/3p), H(2s) gaussian basis set. In its equilibrium structure a bond length of 1.812 a.u. and a HFH bond angle of 127.2Β° are predicted. The calculated vi