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NMR chemical shift computations at second-order Møller-Plesset perturbation theory using gauge-including atomic

Sophia Burger1, Filippo Lipparini2, Jürgen Gauss1

  • 1Department Chemie, Johannes Gutenberg-Universität Mainz, Duesbergweg 10-14, D-55128 Mainz, Germany.

The Journal of Chemical Physics
|August 22, 2021
PubMed

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