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 138 (1), pp. 433 - 443 (2016)

Bettinger, H. F.; Tönshoff, C.; Doerr, M.; Sanchez-Garcia, E.: Electronically Excited States of Higher Acenes up to Nonacene: A Density Functional Theory/Multireference Configuration Interaction Study. Journal of Chemical Theory and Computation 12 (1), pp. 305 - 312 (2016)

Beydoun, K.; Thenert, K.; Streng, E. S.; Brosinski, S.; Leitner, W.; Klankermayer, J.: Selective Synthesis of Trimethylamine by Catalytic N-Methylation of Ammonia and Ammonium Chloride by utilizing Carbon Dioxide and Molecular Hydrogen. ChemCatChem 8 (1), pp. 135 - 138 (2016)

Börgel, J.; Ritter, T.; Campbell, M. G.: Transition Metal d-Orbital Splitting Diagrams: An Updated Educational Resource for Square Planar Transition Metal Complexes. Journal of Chemical Education 93 (1), pp. 118 - 121 (2016)

Nikiforov, A.; Gamez, J. A.; Thiel, W.; Filatov, M.: Computational Design of a Family of Light-Driven Rotary Molecular Motors with Improved Quantum Efficiency. The Journal of Physical Chemistry Letters 7 (1), pp. 105 - 110 (2016)

Grewe, T.; Meggouh, M.; Tüysüz, H.: Nanocatalysts for Solar Water Splitting and a Perspective on Hydrogen Economy. Chemistry – An Asian Journal 11 (1), pp. 22 - 42 (2016)

Preindl, J.; Jouvin, K.; Laurich, D.; Seidel, G.; Fürstner, A.: Gold- or Silver-Catalyzed Syntheses of Pyrones and Pyridine Derivatives: Mechanistic and Synthetic Aspects. Chemistry – A European Journal 22 (1), pp. 237 - 247 (2016)

Kaib, P. S. J.; List, B.: Highly Acidic BINOL-Derived Phosphoramidimidates and their Application in the Brønsted Acid Catalyzed Synthesis of a α-Tocopherol. Synlett 27 (1), pp. 156 - 158 (2016)

Klussmann, M.; Schweitzer-Chaput, B.: Interplay of Method Development and Mechanistic Studies – From Aerobic Oxidative Coupling to Radical Reactions via Alkenyl Peroxides. Synlett 27 (02), pp. 190 - 202 (2016)

Lombeck, F.; Komber, H.; Fazzi, D.; Nava, D.; Kuhlmann, J.; Stegerer, D.; Strassel, K.; Brandt, J.; de Zerio Mendaza, A. D.; Müller, C. et al.; Thiel, W.; Caironi, M.; Friend, R.; Sommer, M.: On the Effect of Prevalent Carbazole Homocoupling Defects on the Photovoltaic Performance of PCDTBT:PC₇₁BM Solar Cells. Advanced Energy Materials 6, 1601232 (2016)

Meinhardt, U.; Lodermeyer, F.; Schaub, T. A.; Kunzmann, A.; Dral, P. O.; Sale, A. C.; Hampel, F.; Guldi, D. M.; Costa, R. D.; Kivala, M.: N-Heterotriangulene chromophores with 4-pyridyl anchors for dye-sensitized solar cells. RSC Advances 6 (71), pp. 67372 - 67377 (2016)

Owens, A.; Yurchenko, S. N.; Thiel, W.; Špirko, V.: Enhanced sensitivity to a possible variation of the proton-to-electron mass ratio in ammonia. Physical Review A 93 (5), pp. 052506/1 - 052506/5 (2016)

Retegan, M.; Krewald, V.; Mamedov, F.; Neese, F.; Lubitz, W.; Cox, N.; Pantazis, D. A.: A five-coordinate Mn(IV) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding. Chemical Science 7 (1), pp. 72 - 84 (2016)

Spörkel, L.; Thiel, W.: Adaptive time steps in trajectory surface hopping simulations. The Journal of Chemical Physics 144, pp. 194108/1 - 194108/8 (2016)

Vandenbergh, J.; Schweitzer-Chaput, B.; Klussmann, M.; Junkers, T.: Acid-Induced Room Temperature RAFT Polymerization: Synthesis and Mechanistic Insights. Macromolecules 49, pp. 4124 - 4135 (2016)

Verhoog, S.; Pfeifer, L.; Khotavivattana, T.; Calderwood, S.; Collier, T. L.; Wheelhouse, K.; Tredwell, M.; Gouverneur, V.: Silver-Mediated ¹⁸F-Labeling of Aryl-CF₃ and Aryl-CHF₂ with ¹⁸F-Fluoride. Synlett 27 (1), pp. 25 - 28 (2016)

Wu, Z.; Reetz, M. T.; Harms, K.: Crystal Structure of 7,8,9,10-Tetrahydro-benzo[b]-naphtho[2,1-d]furan. Acta Crystallographica, Section E: Crystal Structure Communications 72 (1), pp. 106 - 108 (2016)

Reetz, M. T.: Directed Evolution of Selective Enzymes: Catalysts for Organic Chemistry and Biotechnology. Wiley-VCH Verlag GmbH, Weinheim (2016), 308 pp.

Terao, Y.; Sekiya, M.; Ramírez-Contreras, R.; Morandi, B.: N-Methyl-N-nitroso-p-toluenesulfonamide. In: e-EROS Encyclopedia of Reagents for Organic Synthesis, John Wiley & Sons: New York, pp. 1 - 2 (2016)

Wietelmann, U.; Felderhoff, M.; Rittmeyer, P.: Hydrides. In: Ullmann's Encyclopedia of Industrial Chemistry, 100 Years, pp. 1 - 36. Wiley-VCH Verlag GmbH & Co. KGaA - Wiley Online Library, 69469 Weinheim Deutschland (2016)