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ReactionMechanismGenerator / RMG-database Public

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AEC BAC for ωB97X-D3/def2-TZVP and B97-D3/def2-mSVP#459

Merged

xiaoruiDong merged 8 commits intomasterReactionMechanismGenerator/RMG-database:masterfrom

aec_bac_wb97xd3_b97d3ReactionMechanismGenerator/RMG-database:aec_bac_wb97xd3_b97d3Copy head branch name to clipboard

Mar 22, 2021

Conversation Commits8 (8)Checks Files changed

Merged

AEC BAC for ωB97X-D3/def2-TZVP and B97-D3/def2-mSVP#459
xiaoruiDong merged 8 commits intomasterfrom
aec_bac_wb97xd3_b97d3

Commits

Commits on Mar 16, 2021

Add freq scaling factor for wb97x-d3/def2-tzvp from qchem
kspieks
committed
Add AEC for wb97x-d3/def2-tzvp
kspieks
committed
Add BAC for wb97xd3
kspieks
committed
Update reference database with wb97xd3
kspieks
committed
Add freq scaling factor for b97-d3/def2-msvp in qchem
kspieks
committed
Add AEC for b97-d3/def2-msvp
kspieks
committed
Add BAC for b97-d3/def2-msvp
kspieks
committed

Commits on Mar 22, 2021

Update reference database with b97d3/def2-msvp
kspieks
committed

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