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 experience with dalton so far I used only g09 and turbomole
but these programs use only the CPHF-Ansatz to determine the shieldings from which,
to my knowledge, the individual MO-contributions (paramagnetic part) are not accsessible
Has anyone already some experience in this topic
thank you in advance
Orbital contributions-chemical shielding
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