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- W1966653231 abstract "Diverse spectroscopic data of tetraphenylporphyrin and octaethylporphyrin are reduced to “experimental” orbital energy differences. The method of reduction employs invariances found in the semi-empirical Xα calculation of porphine. The Xα calculation yields the usual, porphine four-orbital model and significantly smaller orbital energy differences of filled levels than observed in Hartree—Fock based calculations." @default.
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- W1966653231 date "1979-02-01" @default.
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- W1966653231 title "A semi-empirical Xα calculation of porphine" @default.
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- W1966653231 doi "https://doi.org/10.1016/0009-2614(79)85087-3" @default.
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