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A theoretical investigation of the ground and core-hole states of the secondary butyl cation

✍ Scribed by D.T. Clark; A. Harrision

Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
398 KB
Volume
82
Category
Article
ISSN
0009-2614

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✦ Synopsis

Non-empirical LCAO MO SCF computations have been carried out on the ground and core-hole states of various structures for the 2-butyl cation. The enhancement of weak interactions on going to the core-hole state manifold potentially provides a straightforward means of distinguishing between isomeric structures since the computed ESCA spectra are so distinctive.

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