Improving the Silicon Interactions of GFN-xTB

Summary

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Authors: Toon Verstraelen; Leonid Komissarov

Journal title: JOURNAL OF CHEMICAL INFORMATION AND MODELING

Journal number: 15499596

Journal publisher: American Chemical Society

Published year: 2021

DOI identifier: 10.1021/acs.jcim.1c01170

ISSN: 1549-9596