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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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