Ilg, M. K.; Wolf, L. M.; Mantilli, L.; Farès, C.; Thiel, W.; Fürstner, A.: A Striking Case of Enantioinversion in Gold Catalysis and Its Probable Origins. Chemistry – A European Journal 21 (35), pp. 12279 - 12284 (2015)

Azzopardi, K. M.; Bistoni, G.; Ciancaleoni, G.; Tarantelli, F.; Zuccaccia, D.; Belpassi, L.: Quantitative assessment of the carbocation/carbene character of the gold–carbene bond. Dalton Transactions 44 (31), pp. 13999 - 14007 (2015)

Lump, E.; Castellano, L. M.; Meier, C.; Seeliger, J.; Erwin, N.; Sperlich, B.; Stürzel, C. M.; Usmani, S.; Hammond, R. M.; von Einem, J. et al.; Gerold, G.; Kreppel, F.; Bravo-Rodriguez, K.; Pietschmann, T.; Holmes, V. M.; Palesch, D.; Zirafi, O.; Weissman, D.; Sowislok, A.; Kirchhoff, F.; Weil, T.; Klärner, F.-G.; Schrader, T.; Bitan, G.; Sanchez-Garcia, E.; Winter, R.; Shorter, J.; Münch, J.: A molecular tweezer antagonizes seminal amyloids and HIV infection. eLife, 4:e05397 (2015)

McNeill, E.; Ritter, T.: 1,4-Functionalization of 1,3-Dienes With Low-Valent Iron Catalys. Accounts of Chemical Research 48 (8), pp. 2330 - 2343 (2015)

Ogata, H.; Krämer, T.; Wang, H.; Schilter, D.; Pelmenschikov, V.; van Gastel, M.; Neese, F.; Rauchfuss, T. B.; Gee, L. B.; Scott, A. D. et al.; Yoda, Y.; Tanaka, Y.; Lubitz, W.; Cramer, S. P.: Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy. Nature Communications 6, 7890 (2015)

Escudero, D.; Thiel, W.; Champagne, B.: Spectroscopic and second-order nonlinear optical properties of Ruthenium(II) complexes: a DFT/MRCI and ADC(2) study. Physical Chemistry Chemical Physics 17 (29), pp. 18908 - 18912 (2015)

Vasilevskaya, T.; Khrenova, M. G.; Nemukhin, A. V.; Thiel, W.: Mechanism of proteolysis in matrix metalloproteinase-2 revealed by QM/MM modeling. Journal of Computational Chemistry 36 (21), pp. 1621 - 1630 (2015)

Mondal, B.; Neese, F.; Ye, S.: Control in the Rate-Determining Step Provides a Promising Strategy To Develop New Catalysts for CO₂ Hydrogenation: A Local Pair Natural Orbital Coupled Cluster Theory Study. Inorganic Chemistry 54 (15), pp. 7192 - 7198 (2015)

Reetz, M. T.; Sun, Z.; Ilie, A.: Towards the Production of Universal Blood by Structure-Guided Directed Evolution of Glycoside Hydrolases. Angewandte Chemie International Edition 54, pp. 9158 - 9160 (2015)

Sundararajan, M.; Neese, F.: Distal Histidine Modulates the Unusual O-Binding of Nitrite to Myoglobin: Evidence from the Quantum Chemical Analysis of EPR Parameters. Inorganic Chemistry 54 (15), pp. 7209 - 7217 (2015)

Ungeheuer, F.; Fürstner, A.: Concise Total Synthesis of Ivorenolide B. Chemistry – A European Journal 21 (32), pp. 11387 - 11392 (2015)

Prieto, G.; Schüth, F.: Bridging the gap between insightful simplicity and successful complexity: From fundamental studies on model systems to technical catalysts. Journal of Catalysis 328, pp. 59 - 71 (2015)

Schieder, M.; Lunkenbein, T.; Bojer, C.; Dulle, M.; vom Stein, J. M.; Auffermann, G.; Loebling, T.; Schoebel, J.; Schmalz, H.; Breu, J.: Selective Template Removal by Thermal Depolymerization to Obtain Mesostructured Molybdenum Oxycarbide. Zeitschrift für anorganische und allgemeine Chemie 641 (10), pp. 1829 - 1834 (2015)

Seidel, R. W.; Goddard, R.: Anisole at 100 K: the first crystal structure determination. Acta Crystallographica, Section C: Crystal Structure Communications 71 (8), pp. 664 - 666 (2015)

Gu, Y.-Q.; Fu, X.-P.; Du, P.-P.; Gu, D.; Jin, Z.; Huang, Y.-Y.; Si, R.; Zheng, L.-Q.; Song, Q.-S.; Jia, C.-J. et al.; Weidenthaler, C.: In Situ X-ray Diffraction Study of Co–Al Nanocomposites as Catalysts for Ammonia Decomposition. The Journal of Physical Chemistry C 119 (30), pp. 17102 - 17110 (2015)

Gerey, B.; Gennari, M.; Gouré, E.; Pécaut, J.; Blackman, A.; Pantazis, D. A.; Neese, F.; Molton, F.; Fortage, J.; Duboc, C. et al.; Collomb, M.-N.: Calcium and heterometallic manganese–calcium complexes supported by tripodal pyridine-carboxylate ligands: structural, EPR and theoretical investigations. Dalton Transactions 44 (28), pp. 12757 - 12770 (2015)

Roemelt, M.: Spin orbit coupling for molecular ab initio density matrix renormalization group calculations: Application to g-tensors. The Journal of Chemical Physics 143 (4), pp. 044112/1 - 8 (2015)

Rumpel, S.; Siebel, J. F.; Diallo, M.; Farès, C.; Reijerse, E. J.; Lubitz, W.: Structural Insight into the Complex of Ferredoxin and [FeFe] Hydrogenase from Chlamydomonas reinhardtii. ChemBioChem: A European Journal of Chemical Biology 16 (11), pp. 1663 - 1669 (2015)

Passas-Lagos, E.; Schüth, F.: Amphiphilic Pickering Emulsifiers Based on Mushroom-Type Janus Particles. Langmuir 31 (28), pp. 7749 - 7757 (2015)

Pinski, P.; Riplinger, C.; Vallev, E. F.; Neese, F.: Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals. The Journal of Physical Chemistry 143 (3), 034108 (2015)