Prediction of spin-spin coupling constants in solution based on combined density functional theory/molecular mechanics
Mo̸gelho̸j, Andreas, Aidas, Kestutis, Mikkelsen, Kurt V., Sauer, Stephan P. A., Kongsted, JacobVolume:
130
Year:
2009
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.3098255
File:
PDF, 573 KB
english, 2009