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Koopman's theorem and allowance for the relaxation of MO's in ab initi calculations of polyhalogenides

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Institute of New Chemical Problems, Academy of Sciences of the USSR, M. V. Lomonosov Moscow Institute for Fine Chemical Technology, Institute of Catalysis, Academy of Sciences of the USSR, Siberian Branch. Translated from Zhurnal Strukturnoi Khimii, Vol. 17, No. 2, pp. 214–219, March–April, 1976.

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Smolyar, A.E., Boldyrev, A.I., Charkin, O.P. et al. Koopman's theorem and allowance for the relaxation of MO's in ab initi calculations of polyhalogenides. J Struct Chem 17, 188–193 (1976). https://doi.org/10.1007/BF00755438

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  • DOI: https://doi.org/10.1007/BF00755438

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