New paper in JCTC

We have just published a new paper in the Journal of Chemical Theory and Computation entitled “On the Unexpected Accuracy of the M06L Functional in the Calculation of 1JFC Spin–Spin Coupling Constants”. This work was done in collaboration with professor Stephan Sauer from the University of Copenhagen: https://sites.google.com/site/spasauer/

Check it at JCTC: https://pubs.acs.org/doi/abs/10.1021/acs.jctc.1c00287

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