Solution LAB2 guanine 5
Revision as of 22:56, 18 March 2021 by Daniele Varsano (talk | contribs)
- Back to the previous page: Electronic properties of isolated molecules#Exercise 5
- To relax reactants and products you can use a template file you can find in ./LAB_2/test_molecules/scf_@mol@_relax.in
- A special care need to be paid for the O2 molecule as the ground state is a triplet