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Hydrogen exchange and abstraction in the H + CH4 system as calculated by the CNDO/2 method

✍ Scribed by R.E. Weston Jr.; S. Ehrenson

Publisher: Elsevier Science
Year: 1971
Tongue: English
Weight: 600 KB
Volume: 9
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(71)80241-5

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✦ Synopsis

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 exist \b3thm this framework.

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## Abstract For Abstract see ChemInform Abstract in Full Text.