rankings / method / PBEsol-D4 / def2-QZVP

PBEsol-D4 / def2-QZVP

PBEsol-D4 / def2-QZVP is a DFT method — GGA class · PBEsol + def2-QZVP + D4. ScoreMol scores it on 2 benchmark suites covering Reaction energy, Atomization energy, each run under the same protocol on held-out reference data with cluster-bootstrap confidence intervals.

Suites: MTK-55, QM9-X.