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 2025, 147, 12024–12039.

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

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 2024, 146, 30231–30241.

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 2024, 20, 8921–8933.

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 2024, 15, 7724.

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 2024, 385, 765–770.

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 2024, 62, 131–144.

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 2024, 146, 15825–15832.

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

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 2024, 57, 1411–1420.

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 2023, 145, 25304–25317.

Wang, X.; Wu, C.; Wang, Z.; Liu, W. When do Tripdoublet States Fluoresce? A Theoretical Study of Copper(II) Porphyrin. Frontiers in Chemistry 2023, 11, 1259016.

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 2023, 145, 20182–20188.

Wang, Z.; Neese, F. Development of NOTCH, an all-Electron, Beyond-NDDO Semiempirical Method: Application to Diatomic Molecules. The Journal of Chemical Physics 2023, 158, 184102.

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 2023, 13, 5808–5818.

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 2023, 13, 1173–1185.

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 2021, 22, 1684–1691.

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