Stojanović, L.; Pereira Rodrigues, G.; Aziz, S. G.; Hilal, R. H.; Barbatti, M.: Photochemistry of methyl hypobromite (CH₃OBr): excited states and photoabsorption spectrum. RSC Advances 5, pp. 97003 - 97015 (2015)

Alachraf, M. W.; Wende, R. C.; Schuler, S. M. M.; Schreiner, P. R.; Schrader, W.: Functionality, Effectiveness, and Mechanistic Evaluation of a Multicatalyst-Promoted Reaction Sequence by Electrospray Ionization Mass Spectrometry. Chemistry – A European Journal 21 (45), pp. 16203 - 16208 (2015)

Ritter, C.; Nett, N.; Acevedo-Rocha, C. G.; Lonsdale, R.; Kraling, K.; Dempwolff, F.; Hoebenreich, S.; Graumann, P. L.; Reetz, M. T.; Meggers, E.: Bioorthogonal Enzymatic Activation of Caged Compounds. Angewandte Chemie International Edition 54 (45), pp. 13440 - 13443 (2015)

Bernert, T.; Krech, D.; Kockelmann, W.; Felderhoff, M.; Frankcombe, T. J.; Weidenthaler, C.: Crystal Structure Relation between Tetragonal and Orthorhombic CsAlD₄: DFT and Time-of-Flight Neutron Powder Diffraction Studies. European Journal of Inorganic Chemistry 2015 (33), pp. 5545 - 5550 (2015)

Krewald, V.; Neese, F.; Pantazis, D. A.: Resolving the Manganese Oxidation States in the Oxygen‐evolving Catalyst of Natural Photosynthesis. Israel Journal of Chemistry 55 (11-12), pp. 1219 - 1232 (2015)

Rapatskiy, L.; Ames, W. M.; Pérez-Navarro, M.; Savitsky, A.; Griese, J. J.; Weyhermüller, T.; Shafaat, H. S.; Högbom, M.; Neese, F.; Pantazis, D. A. et al.; Cox, N.: Characterization of Oxygen Bridged Manganese Model Complexes Using Multifrequency ¹⁷O-Hyperfine EPR Spectroscopies and Density Functional Theory. The Journal of Physical Chemistry B 119 (43), pp. 13904 - 13921 (2015)

Byrd, J. N.; Rishi, V.; Perera, A.; Bartlett, R. J.: Approximating electronically excited states with equation-of-motion linear coupled-cluster theory. The Journal of Chemical Physics 143 (16), pp. 164103-1 - 164103-9 (2015)

Liu, L.; Leutzsch, M.; Zheng, Y.; Alachraf, M. W.; Thiel, W.; List, B.: Confined Acid-Catalyzed Asymmetric Carbonyl-Ene Cyclization. Journal of the American Chemical Society 137 (41), pp. 13268 - 13271 (2015)

Lackner, A. D.; Fürstner, A.: The Triple-Bond Metathesis of Aryldiazonium Salts: A Prospect for Dinitrogen Cleavage. Angewandte Chemie International Edition 54 (43), pp. 12814 - 12818 (2015)

Meyer, S.; Krahe, O.; Kupper, C.; Klawitter, I.; Demeshko, S.; Bill, E.; Neese, F.; Meyer, F.: A trans-1,2 End-On Disulfide-Bridged Iron–Tetracarbene Dimer and Its Electronic Structure. Inorganic Chemistry 54 (20), pp. 9770 - 9776 (2015)

Stavretis, S. E.; Atanasov, M.; Podlesnyak, A. A.; Hunter, S. C.; Neese, F.; Xue, Z.-L.: Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab Initio Studies of Zero-Field Splittings. Inorganic Chemistry 54 (20), pp. 9790 - 9801 (2015)

Suturina, E. A.; Maganas, D.; Bill, E.; Atanasov, M.; Neese, F.: Magneto-Structural Correlations in a Series of Pseudotetrahedral [Co^II(XR)₄]^2– Single Molecule Magnets: An ab Initio Ligand Field Study. Inorganic Chemistry 54 (20), pp. 9948 - 9961 (2015)

Molnarne Guricza, L.; Schrader, W.: New Separation Approach for Asphaltene Investigation: Argentation Chromatography Coupled with Ultrahigh-Resolution Mass Spectrometry. Energy & Fuels 29 (10), pp. 6224 - 6230 (2015)

Beckwith, M. A.; Ames, W.; Vila, F. D.; Krewald, V.; Pantazis, D. A.; Mantel, C.; Pécaut, J.; Gennari, M.; Duboc, C.; Collomb, M.-N. et al.; Yano, J.; Rehr, J. J.; Neese, F.; DeBeer, S.: How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II. Journal of the American Chemical Society 137 (40), pp. 12815 - 12834 (2015)

Jiang, S.-D.; Maganas, D.; Levesanos, N.; Ferentinos, E.; Haas, S.; Thirunavukkuarasu, K.; Krzystek, J.; Dressel, M.; Bogani, L.; Neese, F. et al.; Kyritsis, P.: Direct Observation of Very Large Zero-Field Splitting in a Tetrahedral Ni^IISe₄ Coordination Complex. Journal of the American Chemical Society 137 (40), pp. 12923 - 12928 (2015)

Leutzsch, M.; Wolf, L. M.; Gupta, P.; Fuchs, M.; Thiel, W.; Farès, C.; Fürstner, A.: Formation of Ruthenium Carbenes by gem-Hydrogen Transfer to Internal Alkynes: Implications for Alkyne trans-Hydrogenation. Angewandte Chemie International Edition 54 (42), pp. 12431 - 12436 (2015)

Sun, Z.; Lonsdale, R.; Kong, X.-D.; Xu, J.-H.; Zhou, J.; Reetz, M. T.: Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution. Angewandte Chemie International Edition 54 (42), pp. 12410 - 12415 (2015)

Sun, Z.; Lonsdale, R.; Kong, X.-D.; Xu, J.-H.; Zhou, J.; Reetz, M. T.: Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution. Angewandte Chemie International Edition 54 (42), pp. 12410 - 12415 (2015)

Bykov, D.; Neese, F.: Six-Electron Reduction of Nitrite to Ammonia by Cytochrome c Nitrite Reductase: Insights from Density Functional Theory Studies. Inorganic Chemistry 54 (19), pp. 9303 - 9316 (2015)

Thimm, W.; Gradert, C.; Broda, H.; Wennmohs, F.; Neese, F.; Tuczek, F.: Free Reaction Enthalpy Profile of the Schrock Cycle Derived from Density Functional Theory Calculations on the Full [Mo^HIPTN₃N] Catalyst. Inorganic Chemistry 54 (19), pp. 9248 - 9255 (2015)