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Calculation of characteristics of benzene derivatives

Part I. Study of molecules of the phenol type by the MO-LCAO method

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Soviet Physics Journal Aims and scope

Abstract

The C6H5X compounds are considered as regards the energy and wave function αx as functions of α within limits of −3β and +3β, and also as functions of βcx within limits of 0. 5β and 1. 5β. Convenient numerical tables are compiled.

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References

  1. A. F. Terpugova, Optika i'spektroskopiya, 7, 581, 1959.

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Authors and Affiliations

  1. Kuznetsov Siberian Institute of Technical Physics, USSR

    O. A. Ponomarev & V. A. Mikhailova

Authors
  1. O. A. Ponomarev
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  2. V. A. Mikhailova
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Additional information

We are indebted to N.A. Prilezhaev and V.I. Danilov for extensive collaboration in this work.

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Ponomarev, O.A., Mikhailova, V.A. Calculation of characteristics of benzene derivatives. Soviet Physics Journal 8, 22–24 (1965). https://doi.org/10.1007/BF00818274

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  • DOI: https://doi.org/10.1007/BF00818274

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