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Total energy of (CH)8 isomers calculated by the CNDO/2 methods

✍ Scribed by Hiizu Iwamura; Kazuhiko Morio; Michinori ōki; Tosiyasu L. Kunii

Publisher
Elsevier Science
Year
1970
Tongue
French
Weight
186 KB
Volume
11
Category
Article
ISSN
0040-4039

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✦ Synopsis

The CND0/2 calculations have since introduction by Pople and coworkers 1 proved quite satisfactory in reproducing molecular geometry. The method

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Hydrogen exchange and abstraction in the
Hydrogen exchange and abstraction in the H + CH4 system as calculated by the CNDO/2 method
✍ R.E. Weston Jr.; S. Ehrenson 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 600 KB

The energies of several configurations of the CHg radical (including those of D3h, C4v, and C sym- mctry) have been cnlculntcd with the CNnO/Z method. Low energy paths for unexpcctcd stcrco-c 2 . emlcnl processes. which moy hc important in the reactions of "hot" tritium atoms. are predicted Co exis