Reetz, M. T.: Combinatorial Libraries Reloaded^[1]. Israel Journal of Chemistry 58 (1-2), S. 52 - 60 (2018)

Daldrop, J. O.; Saita, M.; Heyden, M.; Lorenz-Fonfria, V. A.; Heberle, J.; Netz, R. R.: Orientation of non-spherical protonated water clusters revealed by infrared absorption dichroism. Nature Communications 9, 311 (2018)

de Souza, B.; Neese, F.; Izsák, R.: On the theoretical prediction of fluorescence rates from first principles using the path integral approach. The Journal of Chemical Physics 148 (3), 034104 (2018)

Pinski, P.; Neese, F.: Communication: Exact analytical derivatives for the domain-based local pair natural orbital MP2 method (DLPNO-MP2). The Journal of Chemical Physics 148 (3), 031101 (2018)

Wang, Q.-N.; Shi, L.; Li , W.; Li, W.-C.; Si, R.; Schüth, F.; Lu, A.-H.: Cu supported on thin carbon layer-coated porous SiO₂ for efficient ethanol dehydrogenation. Catalysis Science & Technology 8 (2), S. 472 - 479 (2018)

Dirkmann, M.; Iglesias-Fernandez, J.; Muñoz, V.; Sokkar, P.; Rumancev, C.; von Gundlach, A.; Krenczyk, O.; Vöpel, T.; Nowack, J.; Schroer, M. A. et al.; Ebbinghaus, S.; Herrmann, C.; Rosenhahn, A.; Sanchez-Garcia, E.; Schulz, F.: A Multiperspective Approach to Solvent Regulation of Enzymatic Activity: HMG‐CoA Reductase. Chembiochem 19 (2), S. 153 - 158 (2018)

Krämer, R.; Nöthling, N.; Lehmann, C. W.; Mohr, F.; Tausch, M. W.: E-Diazocine in Chemical Education: Synthesis, Structure, Photochromism and Thermal Stability. ChemPhotoChem 2 (1), S. 6 - 11 (2018)

Fritsch, N.; Wick, C. R.; Waidmann, T.; Pflock, S.; Dral, P. O.; Tucher, J.; Steiner, C.; Shubina, T. E.; Maier, S.; Clark, T. et al.; Burzlaff, N.: 1D Chains of Diruthenium Tetracarbonyl Sawhorse Complexes. European Journal of Inorganic Chemistry 2018 (1), S. 54 - 61 (2018)

Monguzzi, A.; Ballabio, M.; Yanai, N.; Kimizuka, N.; Fazzi, D.; Campione, M.; Meinardi, F.: Highly Fluorescent Metal–Organic-Framework Nanocomposites for Photonic Applications. Nano Letters 18 (1), S. 528 - 534 (2018)

Rumpel, S.; Ravera, E.; Sommer, C.; Reijerse, E.; Farès, C.; Luchinat, C.; Lubitz, W.: ¹H NMR Spectroscopy of [FeFe] Hydrogenase: Insight into the Electronic Structure of the Active Site. Journal of the American Chemical Society 140 (1), S. 131 - 134 (2018)

Sun, Z.; Wu, L.; Bocola, M.; Chan, H. C. S.; Lonsdale, R.; Kong, X.-D.; Yuan, S.; Zhou, J.; Reetz, M. T.: Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations. Journal of the American Chemical Society 140 (1), S. 310 - 318 (2018)

Dutta, A. K.; Nooijen, M.; Neese, F.; Izsák, R.: Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies. Journal of Chemical Theory and Computation 14 (1), S. 72 - 91 (2018)

Roemelt, M.; Krewald, V.; Pantazis, D. A.: Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex. Journal of Chemical Theory and Computation 14 (1), S. 166 - 179 (2018)

Gottschalk, H. C.; Poblotzki, A.; Suhm, M. A.; Al-Mogren, M. M.; Antony, J.; Auer, A. A.; Baptista, L.; Benoit, D. M.; Bistoni, G.; Bohle, F. et al.; Dahmani, R.; Firaha, D.; Grimme, S.; Hansen, A.; Harding, M. E.; Hochlaf, M.; Holzner, C.; Jansen, G.; Klopper, W.; Kopp, W. A.; Kröger, L. C.; Leonhard, K.; Mouhib, H.; Neese, F.; Pereira, M. N.; Ulusoy, I. S.; Wuttke, A.; Mata, R. A.: The furan microsolvation blind challenge for quantum chemical methods: First steps. The Journal of Chemical Physics 148 (1), 014301 (2018)

Guo, Y.; Riplinger, C.; Becker, U.; Liakos, D. G.; Minenkov, Y.; Cavallo, L.; Neese, F.: Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]. The Journal of Chemical Physics 148 (1), 011101 (2018)

Kwon, Y.; Schulthoff, S.; Dao, Q. M.; Wirtz, C.; Fürstner, A.: Total Synthesis of Disciformycin A and B: Unusually Exigent Targets of Biological Significance. Chemistry – A European Journal 24 (1), S. 109 - 114 (2018)

Neese, F.: Software update: the ORCA program system, version 4.0. Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (1), e1327 (2018)

Acevedo-Rocha, C. G.; Ferla, M.; Reetz, M. T.: Directed Evolution of Proteins Based on Mutational Scanning. In: Methods in Molecular Biology, Bd. 1685, S. 87 - 128 (Hg. Bornscheuer, U. T.; Höhne, M.). Springer, New York (2018)

Abdellatif, S.; Josten, S.; Sharifi, P.; Kirah, K.; Ghannam, R.; Khalil, A. S. G.; Erni, D.; Marlow, F.: Optical investigation of porous TiO₂ in mesostructured solar cells. In: Proceedings SPIE 10526, Physics and Simulation of Optoelectronic Devices XXVI, 105260A. SPIE OPTO 2018, San Francisco, California, USA, 27. Januar 2018 - 01. Februar 2018. (2018)

Majumdar, B. B.: Macromolecular Crowding Effects in Crowded Biomolecular Environments. Dissertation, 148 S., Ruhr-Universität Bochum, Bochum (2018)