Application of extended Hückel theory to
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L.N. Kramer; M.P. Klein
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Article
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1971
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Elsevier Science
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English
⚖ 489 KB
Comparisons of iron and sulphur atomic charges, derived fram extended Hiickeef calcutntions, with core electron binding energies determined from X-rap photoelectron spectrostopy yield good correlations Car neutral molecules. The assumptions and limitations of such correlations are discussed briefly.