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Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 07/2018, Volume 24, Issue 42, pp. 10820 - 10828
Water oxidation in the early steps of natural photosynthesis is fulfilled by photosystem II, which is a protein complex embedded in the thylakoid membrane... 
reaction mechanisms | water splitting | molecular dynamics | photosynthesis | density functional theory | Molecular dynamics | Density functionals | Photosynthesis | Analysis | Phytochemistry | Protons | Tyrosine | Oxygen | Water chemistry | Computer simulation | Photosystem II | Metal clusters | Quantum physics | Molecular chains | Proteins | Photosystem | Chloroplasts | Quantum mechanics | Protonation | Oxidation | Catalysis
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 04/2019, Volume 58, Issue 17, pp. 5658 - 5662
A mononuclear FeII complex, prepared with a Brønsted diacid ligand, H2L (H2L=2‐[5‐phenyl‐1H‐pyrazole‐3‐yl] 6‐benzimidazole pyridine), shows switchable physical... 
magnetism | molecular switch | iron | spin crossover | Brønsted acid/base | TRANSITION | IRON(III) | DESIGN | TEMPERATURE | SPIN-CROSSOVER BEHAVIOR | CHEMISTRY, MULTIDISCIPLINARY | Bronsted acid/base | PROTONATION | Molecular machines | Pyridines | Spin transition | Accessibility | Iron | Electron spin | Physical properties | Pyrazole | Crossovers | Tea | Electron states | Benzimidazole | Ligands | Coordination compounds
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 03/2019, Volume 58, Issue 10, pp. 3133 - 3137
The existence of [μ‐HSi4]3− in liquid ammonia solutions is confirmed by 1H and 29Si NMR experiments. Both NMR and quantum chemical calculations reveal that the... 
silicides | ELI-D analysis | 29Si NMR | NBO analysis | Zintl anions | Si NMR | Charge density | Organic chemistry | Ammonia | Liquid ammonia | Nuclear magnetic resonance--NMR | Quantum chemistry | Silicides | Mathematical analysis | Tetrahedrons | Protonation | Silicon
Journal Article
Advanced Materials, ISSN 0935-9648, 2019, Volume 31, Issue 16, p. e1900458
Ionic-liquid-gating- (ILG-) induced proton evolution has emerged as a novel strategy to realize electron doping and manipulate the electronic and magnetic... 
spinel | protonation | ionic liquid gating | phase transformation
Journal Article
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 09/2012, Volume 51, Issue 39, pp. 9935 - 9940
Using models derived from the X‐ray structure of photosystem II, it is shown that the oxygen evolving complex in the S2 state exists in two energetically... 
oxygen evolving complex | density functional calculations | photosystem II | water splitting | EPR spectroscopy | PROTONATION PATTERN | CRYSTAL-STRUCTURE | WATER OXIDATION | MANGANESE COMPLEX | CHEMISTRY, MULTIDISCIPLINARY | MN4CA COMPLEX | SYNTHETIC MODEL | O-2-EVOLVING COMPLEX | S-2 STATE | MAGNETIC-PROPERTIES | ELECTRONIC-STRUCTURE
Journal Article
Journal Article