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- 16 Jun 2017, 14:11
- Forum: Running Dalton
- Topic: Orbital contributions-chemical shielding
- Replies: 0
- Views: 12367
Hello I intend to examine 13C chemical shieldings in detail In the dalton2016 manual i found that mo-contributions to coupling constants are available is it possible to do the same with the shielding I think the results would be most meaningful when using localized orbitals (FBOVIR) I have few exper...