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Integrals over GTOs useful in the calculation of nmr shielding constants

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Acta Physica Academiae Scientiarum Hungaricae

Abstract

Analytical expressions for all the integrals occurring in the calculation of the nmr shielding constants in second-order perturbation theory are given for GTOs of thes-type and thep-type.

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References

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Authors and Affiliations

  1. Karl-Marx-Universität, Sektion Physik, Arbeitsgruppe Molekül-NMR, 701, Leipzig, GDR

    F. Birnstock & D. Klöpper

Authors
  1. F. Birnstock
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  2. D. Klöpper
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Additional information

The formulae were derived by F. B. and the paper was compiled in absence of him by D. K.

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Birnstock, F., Klöpper, D. Integrals over GTOs useful in the calculation of nmr shielding constants. Acta Physica 37, 295–301 (1974). https://doi.org/10.1007/BF03157864

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  • DOI: https://doi.org/10.1007/BF03157864

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