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hammett-revisited
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Code review
#6
ferchault
closed
5 years ago
0
Delta ML barrier correction to hammett
#5
ferchault
closed
5 years ago
0
Check for missing conformer geometries
#4
ferchault
opened
5 years ago
1
Extract charges on central carbon atoms
#3
ferchault
opened
5 years ago
1
Estimate accuracy of MP2
#2
ferchault
opened
5 years ago
0
Upload rxn geometries and energies
#1
ferchault
closed
5 years ago
0