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A comparison of perfect pairing and molecular orbital methods for the calculation of molecular properties of HF and HF+

โœ Scribed by R.E. Bruce; K.A.R. Mitchell; M.L. Williams

Publisher
Elsevier Science
Year
1973
Tongue
English
Weight
329 KB
Volume
23
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

TIE perfect pairing and molecular orbital methods are compared using minimum bzscs of Slater-type orbit& for the calculation of properties of HF and two states of HF+. A discussion is given of the calculations of bond lengths and of valence and core ionization potenhls.

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