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Electronic structure of the azide ion using the SCF Xα SW method

✍ Scribed by C.R. Fischer; P.J. Kemmey; W.G. Klemperer

Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
459 KB
Volume
47
Category
Article
ISSN
0009-2614

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✦ Synopsis

The electronic structure of the azide ion is investigated using the SCF Xo scattered wave method. C&~lated ionization energies are compared with values determined by eIectron spectroscopy. Transition state calculations for nS -F ?;z, a0 and og -lr: single electron transitions yield excitation encrgics near 5.7, 11.0. and 12.0 eV respectively.

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