Al Shaal, M. G.; Calin, M.; Delidovich, I.; Palkovits, R.: Microwave-assisted reduction of levulinic acid with alcohols producing γ-valerolactone in the presence of a Ru/C catalyst. Catalysis Communications 75, S. 65 - 68 (2016)

Xia, S.-H.; Cui, G.; Fang, W.-H.; Thiel, W.: How Photoisomerization Drives Peptide Folding and Unfolding: Insights from QM/MM and MM Dynamics Simulations. Angewandte Chemie International Edition 55 (6), S. 2067 - 2072 (2016)

Bistoni, G.; Rampino, S.; Scafuri, N.; Ciancaleoni, G.; Zuccaccia, D.; Belpassi, L.; Tarantelli, F.: How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes. Chemical Science 7 (2), S. 1174 - 1184 (2016)

Crivello, J.-C.; Denys, R. V.; Dornheim, M.; Felderhoff, M.; Grant, D. M.; Huot, J.; Jensen, T. R.; de Jongh, P.; Latroche, M.; Walker, G. S. et al.; Webb, C. J.; Yartys, V. A.: Mg-based compounds for hydrogen and energy storage. Applied Physics A 122 (2), 85 (2016)

Patil, M.; Thiel, W.: Mechanism of Ylide Transfer to ­Carbonyl Compounds: Density Functional Calculations. European Journal of Organic Chemistry (4), S. 830 - 839 (2016)

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), S. 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), S. 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), S. 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), S. 1668 - 1674 (2016)

Ahlers, A.; de Haro, T.; Gabor, B.; Fürstner, A.: Concise Total Synthesis of Enigmazole A. Angewandte Chemie International Edition 55 (4), S. 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), S. 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), S. 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), S. 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), S. 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), S. 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, S. 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), S. 947 - 955 (2016)