Magnetic properties calculation now introduced in VIKING

We are excited to announce that a new task for calculating magnetic properties of molecules has been introduced in VIKING.

The task relies on the Gaussian software using the "nmr" keyword to calculate properties such as magnetic shielding tensors, both isotropic and anisotropic spin-dipole couplings and g-tensors.

As with all tasks in VIKING the interface for the new NMR magnetic properties task is intuitive and easy to use, while still providing access to more advanced features of the underlying Gaussian software package. The obtained results can be viewed either as data tables on the results page, or through the interactive structure viewer that also has the capability to visualize the anisotropy in the spin-dipole interaction tensors.