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), pp. 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), pp. 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), pp. 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), pp. 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), pp. 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), pp. 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), pp. 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), pp. 109 - 114 (2018)

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

Auer, A. A.; Bistoni, G.; Kitschke, P.; Mehring, M.; Ebert, T.; Spange, S.: Electronic Structure Calculations and Experimental Studies on the Thermal Initiation of the Twin Polymerization Process. ChemPlusChem 82 (12), pp. 1396 - 1407 (2017)

Pathak, S.; Lang, L.; Neese, F.: A dynamic correlation dressed complete active space method: Theory, implementation, and preliminary applications. The Journal of Chemical Physics 147 (23), 234109 (2017)

Zheng, Y.; Thiel, W.: Computational Insights into an Enzyme-Catalyzed [4+2] Cycloaddition. Journal of Organic Chemistry 82 (24), pp. 13563 - 13571 (2017)

Barrado, A. G.; Bayne, J. M.; Johnstone, T. C.; Lehmann, C. W.; Stephan, D. W.; Alcarazo, M.: Dicationic phosphonium salts: Lewis acid initiators for the Mukaiyama-aldol reaction. Dalton Transactions 46 (46), pp. 16216 - 16227 (2017)

Barnes, R.; Sun, S.; Fichou, Y.; Dahlquist, F. W.; Heyden, M.; Han, S.: Spatially Heterogeneous Surface Water Diffusivity around Structured Protein Surfaces at Equilibrium. Journal of the American Chemical Society 139 (49), pp. 17890 - 17901 (2017)

Decaneto, E.; Vasilevskaya, T.; Kutin, Y.; Ogata, H.; Grossman, M.; Sagi, I.; Havenith, M.; Lubitz, W.; Thiel, W.; Cox, N.: Solvent water interactions within the active site of the membrane type I matrix metalloproteinase. Physical Chemistry Chemical Physics 19 (45), pp. 30316 - 30331 (2017)

Schünemann, S.; Schüth, F.; Tüysüz, H.: Selective glycerol oxidation over ordered mesoporous copper aluminum oxide catalysts. Catalysis Science & Technology 7 (23), pp. 5614 - 5624 (2017)

Yu, P.; Morandi, B.: Nickel-Catalyzed Cyanation of Aryl Chlorides and Triflates Using Butyronitrile: Merging Retro-hydrocyanation with Cross-Coupling. Angewandte Chemie International Edition 56 (49), pp. 15693 - 15697 (2017)

Hwang, S.; Parditka, B.; Cserháti, C.; Erdélyi, Z.; Gläser, R.; Haase, J.; Kärger, J.; Schmidt, W.; Chmelik, C.: IR Microimaging of Direction‐Dependent Uptake in MFI‐Type Crystals. Chemie-Ingenieur-Technik 89 (12), pp. 1686 - 1693 (2017)