Neese, F.: Quantum Chemistry and EPR Parameters. Emagres 6 (1), pp. 1 - 22 (2017)

Neese, F.: Software update: the ORCA program system, version 4.0. Wiley Interdisciplinary Reviews-Computational Molecular Science 8 (1), e1327, pp. 73 - 78 (2017)

Neese, F.: High-Level Spectroscopy, Quantum Chemistry, and Catalysis: Not just a Passing Fad. Angewandte Chemie, International Edition in English 56 (37 Sp. Iss. SI), pp. 11003 - 11010 (2017)

Ortega, K. F.; Rein, D.; Lüttmann, C.; Heese, J.; Özcan, F.; Heidelmann, M.; Folke, J.; Kähler, K.; Schlögl, R.; Behrens, M.: Ammonia Decomposition and Synthesis over Multinary Magnesioferrites: Promotional Effect of Ga on Fe Catalysts for the Decomposition Reaction. ChemCatChem 9 (4 Sp. Iss. S1), pp. 659 - 671 (2017)

Papaefthimiou, V.; Niakolas, D. K.; Paloukis, F.; Teschner, D.; Knop-Gericke, A.; Hävecker, M.; Zafeiratos, S.: Operando observation of nickel/ceria electrode surfaces during intermediate temperature steam electrolysis. Journal of Catalysis 352, pp. 305 - 313 (2017)

Pathak, S.; Lang, L.; Neese, F.: A dynamic correlation dressed complete active space method: Theory, implementation, and preliminary applictions. The Journal of Chemical Physics 147 (23), 234109, pp. 234109-1 - 234109-18 (2017)

Paul, S.; Cox, N.; Pantazis, D. A.: What Can We Learn from a Biomimetic Model of Nature's Oxygen- Evolving Complex? Inorganic Chemistry 56 (7), pp. 3875 - 3888 (2017)

Paul, S.; Neese, F.; Pantazis, D. A.: Structural models of the biological oxygen-evolving complex: achievements, insights, and challenges for biomimicry. Green Chemistry 19 (10), pp. 2309 - 2325 (2017)

Pavlovic, Z.; Ranjan, C.; van Gastel, M.; Schlögl, R.: The active site for the water oxidising anodic iridium oxide probed through in situ Raman spectroscopy. Chemical Communications 53 (92), pp. 12414 - 12417 (2017)

Hugenbruch, S.: X-ray spectroscopic and Mößbauer spectroscopic investigations of bioinorganic compounds and metalloenzymes. Dissertation, Ruhr-Universität Bochum, Bochum (2017)

Buttler, F.: Electrochemical Hydrogen Storage in Organic Molecules. Dissertation, Universität Duisburg-Essen, Essen (2017)

Pavlovic, Z.: Electrochemical and Spectroscopic studies on catalysts for electrochemical water splitting. Dissertation, Universität Duisburg-Essen, Essen (2017)

Rodriguez-Macia, P.: From Hydrogenases to Molecular Catalysts: Electrochemical and Spectroscopic Investigations. Dissertation, Ruhr-Universität Bochum, Bochum (2017)

Alsheikh Oughli, A.: Protective Matrices for Hydrogenases and Bio-inspired Catalysts. Dissertation, Fakultät für Chemie und Biochemie der Ruhr-Universität Bochum, Bochum (2017)

Perez-Navarro, M.: The Structure and Function of the Water-Oxidizing Complex of Photosystem II and Related Model Complexes Investigated by Pulse EPR Spectroscopy. Dissertation, 104 pp., Heinrich Heine University Düsseldorf, Düsseldorf (2017)