Clough, M. T.; Geyer, K.; Hunt, P. A.; McIntosh, A. J. S.; Rowe, R.; Welton, T.; White, A. J. P.: Azoniaspiro salts: towards bridging the gap between room-temperature ionic liquids and molten salts. Physical Chemistry Chemical Physics 18 (4), pp. 3339 - 3351 (2016)

Yin, J.; Wang, Z.; Fazzi, D.; Shen, Z.; Soci, C.: First-Principles Study of the Nuclear Dynamics of Doped Conjugated Polymers. The Journal of Physical Chemistry C 120 (3), pp. 1994 - 2001 (2016)

Preshlock, S.; Tredwell, M.; Gouverneur, V.: ¹⁸F-Labeling of Arenes and Heteroarenes for Applications in Positron Emission Tomography. Chemical Reviews 116 (2), pp. 719 - 766 (2016)

Werncke, G.; Suturina, E. A.; Bunting, P. C.; Vendier, L.; Long, J. R.; Atanasov, M.; Neese, F.; Sabo‐Etienne, S.; Bontemps, S.: Homoleptic Two‐Coordinate Silylamido Complexes of Chromium(I), Manganese(I), and Cobalt(I). Chemistry – A European Journal 22 (5), pp. 1668 - 1674 (2016)

Ahlers, A.; de Haro, T.; Gabor, B.; Fürstner, A.: Concise Total Synthesis of Enigmazole A. Angewandte Chemie International Edition 55 (4), pp. 1406 - 1411 (2016)

Sun, Z.; Lonsdale, R.; Ilie, A.; Li, G.; Zhou, J.; Reetz, M. T.: Catalytic Asymmetric Reduction of Difficult-to-Reduce Ketones: Triple Code Saturation Mutagenesis of an Alcohol Dehydrogenase. ACS Catalysis 6 (3), pp. 1598 - 1605 (2016)

Sun, Z.; Lonsdale, R.; Li, G.; Li, A.; Wang, J.; Reetz, M. T.: Structure-Guided Triple-Code Saturation Mutagenesis: Efficient Tuning of the Stereoselectivity of an Epoxide Hydrolase. ACS Catalysis 6 (3), pp. 1590 - 1597 (2016)

Dutta, A. K.; Neese, F.; Izsák, R.: Speeding up equation of motion coupled cluster theory with the chain of spheres approximation. The Journal of Chemical Physics 144 (3), 034102 (2016)

Gommes, C. J.; Prieto, G.; de Jongh, P. E.: Small-Angle Scattering Analysis of Empty or Loaded Hierarchical Porous Materials. The Journal of Physical Chemistry C 120 (3), pp. 1488 - 1506 (2016)

Krewald, V.; Retegan, M.; Neese, F.; Lubitz, W.; Pantazis, D. A.; Cox, N.: Spin State as a Marker for the Structural Evolution of Nature’s Water-Splitting Catalyst. Inorganic Chemistry 55 (2), pp. 488 - 501 (2016)

Mondal, S.; Bykova, E.; Dey, S.; Ali, S. I.; Dubrovinskaia, N.; Dubrovinsky, L.; Parakhonskiy, G.; van Smaalen, S.: Disorder and defects are not intrinsic to boron carbide. Scientific Reports 6, 19330 (2016)

Heggen, B.; Patil, M.; Thiel, W.: Cyclization of an α,β-Unsaturated Hydrazone Catalyzed by a BINOL-Phosphoric Acid: Pericyclic or Not? Journal of Computational Chemistry 37 (2), pp. 280 - 285 (2016)

Legnani, L.; Morandi, B.: Direct Catalytic Synthesis of Unprotected 2‐Amino‐1‐Phenylethanols from Alkenes by Using Iron(II) Phthalocyanine. Angewandte Chemie International Edition 55, pp. 2248 - 2251 (2016)

Riplinger, C.; Pinski, P.; Becker, U.; Valeev, E. F.; Neese, F.: Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory. The Journal of Chemical Physics 144 (2), 024109 (2016)

Tuna, D.; Domcke, W.: Excited-state deactivation in 8-oxo-deoxyguanosine: comparison between anionic and neutral forms. Physical Chemistry Chemical Physics 18 (2), pp. 947 - 955 (2016)

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)