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    3. Detailed information for NCI reference data sets
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      • Kannemann-Becke (KB49,KB65)
      • Three-body energies (3B69)
      • S22 set (S22)
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      • HB300SPX set (HB300SPX)
    refdata github

    Detailed information for NCI reference data sets

    • Kannemann-Becke set (KB49)

    Updated: March 30, 2025

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