Zeitschriftenartikel
Rohmann, K.;
Hölscher, M.;
Leitner, W. Can Contemporary Density Functional Theory Predict Energy Spans in Molecular Catalysis Accurately Enough To Be Applicable for in Silico Catalyst Design? A Computational/Experimental Case Study for the Ruthenium-Catalyzed Hydrogenation of Olefins.
Journal of the American Chemical Society 2016,
138, 433–443.