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The calculated structures of the C4H8NO+ cations resulting from the unimolecular gas-phase dissociation (CH3)2NCOCH2X·+ → C4H8NO+ + X· (X CL, NO2)

✍ Scribed by Gernot Frenking; Helmut Schwarz

Publisher: John Wiley and Sons
Year: 1982
Tongue: English
Weight: 602 KB
Volume: 3
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540030217

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✦ Synopsis

Abstract

The structures and rearrangements of various cyclic and acyclic C~4~H~8~NO^+^ cations resulting from the title reaction have been investigated by means of semiempirical (MNDO) and ab initio (4‐31G) calculations.

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