Publications of Zikuan Wang

Qiu, Z.; Bruzzese, P. C.; Wang, Z.; Deng, H.; Leutzsch, M.; Farès, C.; Chabbra, S.; Neese, F.; Schnegg, A.; Neumann, C. N.: 3-Center-3-Electron σ-Adduct Enables Silyl Radical Transfer below the Minimum Barrier for Silyl Radical Formation. Journal of the American Chemical Society 147 (14), pp. 12024 - 12039 (2025)

Whitehurst, W. G.; Schulte, T.; Wang, Z.; Waldbach, F.; Ritter, T.: Arene Ring Expansion by Ruthenium η⁶-Arene Complexes. Angewandte Chemie International Edition 64 (6), e202421608 (2025)

Wu, P.; Zhu, W.; Chen, Y.; Wang, Z.; Kumar, A.; Wang, B.; Nam, W.: cis-Dihydroxylation by Synthetic Iron(III)–Peroxo Intermediates and Rieske Dioxygenases: Experimental and Theoretical Approaches Reveal the Key O–O Bond Activation Step. Journal of the American Chemical Society 146 (44), pp. 30231 - 30241 (2024)

Qin, L.; Wang, Z.; Suo, B.: Efficient and Robust Ab Initio Self-Consistent Field Acceleration Algorithm Based on a Semiempirical Model Hamiltonian. Journal of Chemical Theory and Computation 20 (20), pp. 8921 - 8933 (2024)

Li, H.; Han, B.; Wang, R.; Li, W.; Zhang, W.; Fu, X.; Fang, H.; Ma, F.; Wang, Z.; Zhang, J.: Photochemical conversion of CO to C1 and C2 products mediated by porphyrin rhodium(II) metallo-radical complexes. Nature Communications 15 (1), 7724 (2024)

Zheng, T.; Nöthling, N.; Wang, Z.; Mitschke, B.; Leutzsch, M.; List, B.: A solid noncovalent organic double-helix framework catalyzes asymmetric [6 + 4] cycloaddition. Science 385 (6710), pp. 765 - 770 (2024)

Zhang, X.; Liu, J.; Liao, L.; Wang, Z.; Wang, B.: Coordination dynamics of iron enables the selective C–N coupling but bypasses unwanted C–H hydroxylation in Fe(II)/α-ketoglutarate- dependent non-heme enzymes. Chinese Journal of Catalysis 62, pp. 131 - 144 (2024)

Schulte, T.; Wang, Z.; Li, C.-C.; Hamad, A.; Waldbach, F.; Pampel, J.; Petzold, R.; Leutzsch, M.; Bahns, F.; Ritter, T.: Ruthenium Phenoxo Complexes: An Isolobal Ligand to Cp with Improved Properties. Journal of the American Chemical Society 146 (23), pp. 15825 - 15832 (2024)

Wang, Z.; Zhang, Z.; Wu, C.; Wang, Z.; Liu, W.: Pushing the Limit of Photo-Controlled Polymerization: Hyperchromic and Bathochromic Effects. Molecules 29 (10), 2377 (2024)

Bistoni, G.; Altun, A.; Wang, Z.; Neese, F.: Local Energy Decomposition Analysis of London Dispersion Effects: From Simple Model Dimers to Complex Biomolecular Assemblies. Accounts of Chemical Research 57 (9), pp. 1411 - 1420 (2024)

Peng, W.; Wang, Z.; Zhang, Q.; Yan, S.; Wang, B.: Unraveling the Valence State and Reactivity of Copper Centers in Membrane-Bound Particulate Methane Monooxygenase. Journal of the American Chemical Society 145 (46), pp. 25304 - 25317 (2023)

Wang, X.; Wu, C.; Wang, Z.; Liu, W.: When do tripdoublet states fluoresce? A theoretical study of copper(II) porphyrin. Frontiers in Chemistry 11, 1259016 (2023)

Zhang, L.; Yan, J.; Ahmadli, D.; Wang, Z.; Ritter, T.: Electron-Transfer-Enabled Concerted Nucleophilic Fluorination of Azaarenes: Selective C–H Fluorination of Quinolines. Journal of the American Chemical Society 145 (37), pp. 20182 - 20188 (2023)

Wang, Z.; Neese, F.: Development of NOTCH, an all-electron, beyond-NDDO semiempirical method: Application to diatomic molecules. The Journal of Chemical Physics 158 (18), 184102 (2023)

Liu, J.; Wang, Z.; Sang, X.; Zhang, X.; Wang, B.: Peroxo-Diiron(III/III) as the Reactive Intermediate for N-Hydroxylation Reactions in the Multidomain Metalloenzyme SznF: Evidence from Molecular Dynamics and Quantum Mechanical/Molecular Mechanical Calculations. ACS Catalysis 13 (9), pp. 5808 - 5818 (2023)

Zhang, X.; Wang, Z.; Li, Z.; Shaik, S.; Wang, B.: [4Fe–4S]-Mediated Proton-Coupled Electron Transfer Enables the Efficient Degradation of Chloroalkenes by Reductive Dehalogenases. ACS Catalysis 13 (2), pp. 1173 - 1185 (2023)

Yu, L.; Shi, M.; Wang, Z.; Xing, X.; Ali, M. U.; He, Y.; Meng, H.: Tuning the UV/Vis Absorption Spectra of Electrochromic Small Molecular Radicals Through Bridge Modulation. ChemPhysChem 22 (16), pp. 1684 - 1691 (2021)

Wu, C.; Ma, Q.; Hou, B.; Wang, Z.; Wang, Z.; Liao, S.: Organocatalysts for Radical Polymerization. In: Organocatalysts in Polymer Chemistry: Synthesis and Applications, pp. 325 - 364 (Ed. Li, Z.) (2025)