Leitner, Walter Institut für Technische und Makromolekulare Chemie, RWTH Aachen University, Worringerweg 2, 52074 Aachen, Germany; Research Group Leitner, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Rohmann, K., Hölscher, M., & Leitner, W. (2016). 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, 138(1), 433-443. doi:10.1021/jacs.5b11997.