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- W2087029001 abstract "Abstract One-electron wavefunctions for even polyenes and annulenes exhibiting bond alternation are derived in the Huckel approximation. Formulae for the one-particle density matrix are obtained. The dependence of the forbidden zone and the total π-electron energy on structural parameters is shown and a method of searching for roots (real and complex) of the Lennard-Jones equation proposed." @default.
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- W2087029001 date "1981-03-01" @default.
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- W2087029001 title "Some contributions and generalizations to the electronic theory of even polyenes and annulenes" @default.
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- W2087029001 doi "https://doi.org/10.1016/0009-2614(81)85258-x" @default.
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