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Massue, C.; Pfeifer, V.; van Gastel, M.; Noack, J.; Algara-Siller, G.; Cap, S.; Schlögl, R.: Reactive Electrophilic OI- Species Evidenced in High-Performance Iridium Oxohydroxide Water Oxidation Electrocatalysts. ChemSusChem 10 (23), pp. 4786 - 4798 (2017)

Meyer, N.; Schucht, H.; Lehmann, C. W.; Weibert, B.; Winter, R. F.; Mohr, F.: Multimetallic Gold-Iron Compounds Based on Aurated Ferrocenes. European Journal of Inorganic Chemistry (2), pp. 521 - 526 (2017)

Mieres-Perez, J.; Henkel, S.; Mendez-Vega, E.; Schleif, T.; Lohmiller, T.; Savitsky, A.; Sander, W.: Dinitreno pentaradicals: organic sextet molecules. Journal of Physical Organic Chemistry 30 (4 Sp. Iss. SI), e3621, p. e3621 - e3621 (2017)

Minenkov, Y.; Bistoni, G.; Riplinger, C.; Auer, A. A.; Neese, F.; Cavallo, L.: Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation. Physical Chemistry Chemical Physics 19 (14), pp. 9374 - 9391 (2017)

Möbius, K.: Kev Salikov's 80th Birthday: Small Interactions With Large Consequences Preface. Zeitschrift fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics 231 (3 Sp. Iss. SI), pp. 471 - 477 (2017)

Möbius, K.; Lubitz, W.; Savitsky, A.: Jim Hyde and the ENDOR Connection: A Personal Account. Applied Magnetic Resonance 48 (11-12), pp. 1149 - 1183 (2017)

Möller, F.; Castaneda-Losada, L.; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P.: Modulation of the CO₂ fixation in dinickel azacryptands. Dalton Transactions 46 (17), pp. 5680 - 5688 (2017)

Monte-Perez, I.; Kundu, S.; Chandra, A.; Craigo, K. E.; Chernev, P.; Kuhlmann, U.; Dau, H.; Hildebrandt, P.; Greco, C.; Van Stappen, C. et al.; Lehnert, N.; Ray, K.: Temperature Dependence of the Catalytic Two-versus Four-Electron Reduction of Dioxygen by a Hexanuclear Cobalt Complex. Journal of the American Chemical Society 139 (42), pp. 15033 - 15042 (2017)

Nalepa, A. I.; Malferrari, M.; Lubitz, W.; Venturoli, G.; Möbius, K.; Savitsky, A.: Local water sensing: water exchange in bacterial photosynthetic reaction centers embedded in a trehalose glass studied using multiresonance EPR. Physical Chemistry Chemical Physics 19 (41), pp. 28388 - 28400 (2017)

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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)

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