HAM/3, a semi-empirical MO theory. I. Th
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L. Åsbrink; C. Fridh; E. Lindholm
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Article
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1977
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Elsevier Science
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English
⚖ 644 KB
An MO SW theory for molecules hd~ been dcvclopcd startmg from Slatcr's study of atonlac 4liclding constants USC of shielding "constants" which are frlrzctions of the nature of the shielded electron glvcs good total cncrgics for a number of atomic species. The good :isecment must mean negligible erro