Skip to content

Releases: sevkel/BA

DFT calculations

20 Sep 11:03
Compare
Choose a tag to compare

DFT calculations for atomization and reaction energies, H2 dissociation and the spin density for a singly ionized adenine-thymine basepair

DFT calculations for atomization and reaction energies

19 Sep 13:09
131e5d7
Compare
Choose a tag to compare