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QMC Data sets for Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes
https://doi.org/10.18126/m20923
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Suhwan Song
Min-Cheol Kim
Eunji Sim
Anouar Benali
Olle Heinonen
Kieron Burke
Anouar Benali (benali@anl.gov )
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Kieron Burke (kieron@uci.edu)
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DOI registered
May 7, 2018
via DataCite
Dataset published 2018 in
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