Semi-empirical molecular orbital theory.
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L. Di Sipio; E. Tondello; G. De Michelis; L. Oleari
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Article
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1971
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Elsevier Science
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English
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One-centre quaritities for the elements of the frost and second traadtion meti -ties are given which OLI be used instead of the conesponding one-centre integrals in semi-empirical MO calculat~oons.