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Updated: Jan 24, 2026

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
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Structure Optimisation of Large Transition-Metal Complexes with Extended Tight-Binding Methods

Markus Bursch1, Hagen Neugebauer1, Stefan Grimme1

  • 1Mulliken Center for Theoretical Chemistry, Institute for Physical and Theoretical Chemistry, University of Bonn, Beringstr. 4, 53115, Bonn, Germany.

Angewandte Chemie (International Ed. in English)
|May 30, 2019
PubMed

Keywords:
GFN-xTBgeometry optimizationsemi-empirical methodstight-binding methodstransition metals

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