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Continuous degeneracy and energy-localization of molecular orbitals

✍ Scribed by Walter England

Publisher
John Wiley and Sons
Year
1971
Tongue
English
Weight
489 KB
Volume
5
Category
Article
ISSN
0020-7608

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Ab IN:IO LCAO UO SCI' calcularions habe been pertormed on CO znd Nz Smgle-orbttal relaxtlon energy conu~butlons obtxncd by means of molecular orbttals wth Mierent locahzat~on character are compared Althou\_eh satisfactory agreement x%tth duectiy calculated relaxation enzrgx has been found m all cast