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Molecular orbital calculations for the HF crystal

✍ Scribed by R.W. Crowe; D.P. Santry

Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
236 KB
Volume
45
Category
Article
ISSN
0009-2614

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✦ Synopsis

CNDO based molecular orbital caIculations are reported for solid HF and compared with results from a recent structural determmntlon. It is Found that thcoretlcal structure is net in good agreement with that observed experimentally at 4 K.

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