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Detailed information for NCI reference data sets
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Reference data
Kannemann-Becke (KB49,KB65)
Three-body energies (3B69)
S22 set (S22)
S22x5 set (S22x5)
S22x7 set (S22x7)
S66 set (S66)
S66x8 set (S66x8)
S66x10 set (S66x10)
HB375x10 set (HB375x10)
iHB100x10 set (iHB100x10)
HB300SPX set (HB300SPX)
refdata github
Detailed information for NCI reference data sets
Kannemann-Becke set (KB49)
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