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Semiempirical calculation of the electronic structure of 12-crown-4 and 12-thio-crown-4

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Translated from Teoreticheskaya i éksperimental'naya Khimiya, Vol. 15, No. 6, pp. 711–715, November–December, 1979.

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Volkov, V.B., Yatsimirskii, K.B. Semiempirical calculation of the electronic structure of 12-crown-4 and 12-thio-crown-4. Theor Exp Chem 15, 559–562 (1980). https://doi.org/10.1007/BF00520981

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  • DOI: https://doi.org/10.1007/BF00520981

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