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Comparative calculations on MXk molecules using different schemes of the zero differential overlap approximation

I. Calculations on the H2O molecule using various different variants of the NDDO scheme and the roothaan method

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Literature cited

  1. N. M. Klimenko and M. E. Dyatkina, Zh. Strukt. Khim.,11, 567 (1970); N. M. Klimenko, Candidate's Dissertation, M. V. Lomonosov Moscow Institute of Fine Chemical Technology, Moscow (1970).

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  4. N. M. Klimenko and M. E. Dyatkina, Zh. Strukt. Khim.,10, 886 (1969).

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  5. O. P. Charkin, A. S. Zyubin, and N. M. Klimenko, Zh. Strukt. Khim., 15, No. 5 (1974).

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Authors
  1. A. S. Zyubin
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  2. O. P. Charkin
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  3. N. M. Klimenko
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Additional information

Institute for New Chemical Problems, Academy of Sciences of the USSR. M. V. Lomonosov Moscow Institute of Fine Chemical Technology. Translated from Zhurnal Strukturnoi Khimii, Vol. 15, No. 4, pp. 736–740, July–August, 1974.

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Zyubin, A.S., Charkin, O.P. & Klimenko, N.M. Comparative calculations on MXk molecules using different schemes of the zero differential overlap approximation. J Struct Chem 15, 643–647 (1974). https://doi.org/10.1007/BF00747221

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  • DOI: https://doi.org/10.1007/BF00747221

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