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Electronic structure and magnetic properties of the PO32− radical: A molecular-orbital study

✍ Scribed by Jacques Weber; Yves Cornioley; Michel Geoffroy

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
477 KB
Volume
96
Category
Article
ISSN
0009-2614

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✦ Synopsis

Spm-p&rilcd

.md non-spin-polarized molecular-orbital US Xa calculations have been performed for the radical PO:-. -I1 P .md "0 nugnctic h\ perfinc tensors are determined together with the spin densities in the different orbirals of these

IN~I AIIUI~L Thrw

rccults are m good .qreement \ith the e\perimenral \alucs. it is sho\n that 3~20% of the Fermi contact co11phng is dur to Inner-shell pdJriZJtiOI1.

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