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Published April 7, 2026 | Version v1
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The BOS-TMC Dataset: DFT Properties of 159k Experimentally Characterized Transition Metal Complexes Spanning Multiple Charge and Spin States

Authors/Creators

  • 1. ROR icon Massachusetts Institute of Technology
  • 2. ROR icon Technical University of Munich

Description

Contains structures and properties for the BOS-TMC dataset of 159k transition metal complexes in multiple charge and spin states.

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