Dataset units
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mhellstr commented
What are the units for dipole moment, HOMO-LUMO gap, reaction energy, etc. ?
akshat998 commented
Hello,
The units are as follows:
Dipole moment: D
HOMO-LUMO gap: eV
Reaction energy: kcal/mol
The tables in our paper might be able to help you further (the column descriptions have units) :)
Regards
Akshat