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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.

Dutta, A. K.; Saitow, M.; Riplinger, C.; Neese, F.; Izsák, R. A near-linear scaling equation of motion coupled cluster method for ionized states. The Journal of Chemical Physics 2018, 148, 244101.

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.