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Bistoni, G.; Polyak, I.; Sparta, M.; Thiel, W.; Neese, F. Toward Accurate QM/MM Reaction Barriers with Large QM Regions Using Domain Based Pair Natural Orbital Coupled Cluster Theory. Journal of Chemical Theory and Computation 2018, 14, 3524–3531.

Chantzis, A.; Kowalska, J. K.; Maganas, D.; DeBeer, S.; Neese, F. Ab Initio Wave Function-Based Determination of Element Specific Shifts for the Efficient Calculation of X-Ray Absorption Spectra of Main Group Elements and First Row Transition Metals. Journal of Chemical Theory and Computation 2018, 14, 3686–3702.

Dodekatos, G.; Schünemann, S.; Tüysüz, H. Recent Advances in Thermo-, Photo-, and Electrocatalytic Glycerol Oxidation. ACS Catalysis 2018, 8, 6301–6333.

Meng, Z.; Souillart, L.; Monks, B.; Huwyler, N.; Herrmann, J.; Müller, R.; Fürstner, A. A “Motif-Oriented” Total Synthesis of Nannocystin Ax. Preparation and Biological Assessment of Analogues. The Journal of Organic Chemistry 2018, 83, 6977–6994.

Mo, X.; Letort, A.; Roşca, D.-A.; Higashida, K.; Fürstner, A. Site‐Selective Trans‐Hydrostannation of 1,3‐ and 1,n‐Diynes: Application to the Total Synthesis of Typhonosides E and F, and a Fluorinated Cerebroside Analogue. Chemistry – A European Journal 2018, 24, 9667–9674.

Moseley, D. H.; Stavretis, S. E.; Thirunavukkuarasu, K.; Ozerov, M.; Cheng, Y.; Daemen, L. L.; Ludwig, J.; Lu, Z.; Smirnov, D.; Brown, C. M.; Pandey, A.; Ramirez-Cuesta, A. J.; Lamb, A. C.; Atanasov, M.; Bill, E.; Neese, F.; Xue, Z.-L. Spin–Phonon Couplings in Transition Metal Complexes with Slow Magnetic Relaxation. Nature Communications 2018, 9, 2572.

Schrimpf, A.; Hempel, F.; Li, A.; Linne, U.; Maier, U. G.; Reetz, M. T.; Geyer, A. Hinge-Type Dimerization of Proteins by a Tetracysteine Peptide of High Pairing Specificity. Biochemistry 2018, 57, 3658–3664.

Höfler, D.; Goddard, R.; Lingnau, J. B.; Nöthling, N.; List, B. A Purely Organic Tricarbanion. Angewandte Chemie International Edition 2018, 57, 8326–8329.

Pienkoß, F.; Ochoa-Hernandez, C.; Theyssen, N.; Leitner, W. Kaolin: A Natural Low-Cost Material as Catalyst for Isomerization of Glucose to Fructose. ACS Sustainable Chemistry & Engineering 2018, 6, 8782–8789.

Tskhovrebov, A. G.; Goddard, R.; Fürstner, A. Two Amphoteric Silver Carbene Clusters. Angewandte Chemie International Edition 2018, 57, 8089–8094.

Abdellatif, S.; Sharifi, P.; Kirah, K.; Ghannam, R.; Khalil, A. S. G.; Erni, D.; Marlow, F. Refractive Index and Scattering of Porous TiO₂ Films. Microporous and Mesoporous Materials 2018, 264, 84–91.

König, G.; Brooks, B. R.; Thiel, W.; York, D. M. On the Convergence of Multi-Scale Free Energy Simulations. Molecular Simulation 2018, 44, 1062–1081.

Li, A.; Acevedo-Rocha, C. G.; Reetz, M. T. Boosting the Efficiency of Site-Saturation Mutagenesis for a Difficult-to-Randomize Gene by a Two-Step PCR Strategy. Applied Microbiology and Biotechnology 2018, 102, 6095–6103.

Schreiter, I. J.; Schmidt, W.; Schüth, C. Sorption Mechanisms of Chlorinated Hydrocarbons on Biochar Produced from Different Feedstocks: Conclusions from Single- and Bi-Solute Experiments. Chemosphere 2018, 203, 34–43.

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Liu, J.; Koslowski, A.; Thiel, W. Analytic Gradient and Derivative Couplings for the Spin-Flip Extended Configuration Interaction Singles Method: Theory, Implementation, and Application to Proton Transfer. The Journal of Chemical Physics 2018, 148, 244108.

Barros Daltro de Castro, I.; Graça, I.; Rodríguez-García, L.; Kennema, M.; Rinaldi, R.; Meemken, F. Elucidating the Reactivity of Methoxyphenol Positional Isomers Towards Hydrogen-Transfer Reactions by ATR-IR Spectroscopy of the Liquid–Solid Interface of RANEY® Ni. Catalysis Science & Technology 2018, 8, 3107–3114.

Cao, Z.; Dierks, M.; Clough, M. T.; Barros Daltro de Castro, I.; Rinaldi, R. A Convergent Approach for a Deep Converting Lignin-First Biorefinery Rendering High-Energy-Density Drop-in Fuels. Joule 2018, 2, 1118–1133.

Herrero-Martín, J.; Ruiz-Fuertes, J.; Bernert, T.; Koch-Müller, M.; Haussühl, E.; García-Muñoz, J. L. Magnetic and Electronic Properties of the Ferroelectric-Photovoltaic Ordered Double Perovskite CaMnTi₂O₆ Investigated by x-Ray Absorption Spectroscopies. Physical Review B 2018, 97, 235129.