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(1) Chen, J.#; Jin, T.#; Jiang, Y.; Shen, T.*; Yang, M.*; Chen, Z.-N.* Toward accurate and efficient dynamic computational strategy for heterogeneous catalysis: Temperature-dependent thermodynamics and kinetics for the chemisorbed on-surface CO. Chin. Chem. Lett. 2022. DOI: 10.1016/j.ccst.2022.100055
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(4) Wang, Y.#*; Liu, X.-H.#; Wang, R.; Cula, B.; Chen, Z.-N.*; Chen, Q.*; Koch, N.; Pinna, N.* Secondary Phosphine Oxide Functionalized Gold Clusters and Their Application in Photoelectrocatalytic Hydrogenation Reactions. J. Am. Chem. Soc. 2021, 143, 9595-9600.
(5) Chen, Z.-N.#; Shen, T.#; Wang, Y.; Zhang, I. Y.* Accurate Description of Catalytic Selectivity: Challenges and Opportunities for the Development of Density Functional Approximations. CCS Chem. 2021, 3, 136–143.
(6) Tan, H.-Z.#; Xu, Y.-P.#; Rong, S.; Zhao, R.; Cui, H.*; Chen, Z.-N.*; Xu, Z.-N.; Zhang, N.-N.; Guo, G.-C.* Enhanced metal-support interaction between Pd and hierarchical Nb2O5 via oxygen defects induction to promote CO oxidative coupling to dimethyl oxalate. Nanoscale 2021, 13, 18773–18779.
(7) Xia, H.; Tan, H.-Z.*; Cui, H.*; Song, F.; Zhang, Y.; Zhao, R.; Chen, Z.-N.*; Yi, W.; Li, Z. Tunable selectivity of phenol hydrogenation to cyclohexane or cyclohexanol by a solvent-driven effect over a bifunctional Pd/NaY catalyst. Catal. Sci. Technol. 2021, 11, 1881-1887.
(8) Shen, L.#; Chen, Z.-N.#; Zheng, Q.; Wu, J.; Xu, X.*; Tu, T*. Selective Transformation of Vicinal Glycols to α-Hydroxy Acetates in Water via a Dehydrogenation and Oxidization Relay Process by a Self-Supported Single-Site Iridium Catalyst. ACS Catal. 2021, 11, 12833-12839.
(9) Zhang, Y. F.#; Chen, Z.-N.#; Su, W. P*. Rhodium(III)-catalyzed regioselective C-H nitrosation/annulation of unsymmetrical azobenzenes to synthesize benzotriazole N-oxides via a Rh-III/Rh-III redox-neutral pathway. Tetrahedron Lett. 2021, 72, 153049.
(10) Wang, D.#; Chen, Z.-N.#; Ding, Q.-R.; Feng, C.-C.; Wang, S.-T.; Zhuang, W.*; Zhang, L.* Rational Preparation of Atomically Precise Non-Alkyl Tin-Oxo Clusters with Theoretical to Experimental Insights into Electrocatalytic CO2 Reduction Applications. CCS Chem. 2020, 2, 2607–2616.
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(12) Zhang, Y.#; Chen, Z.-N.#; Zhang, X.#; Deng, X.; Zhuang, W.*; Su, W*. Iodide-Enhanced Palladium Catalysis Via Formation of Iodide-Bridged Binuclear Palladium Complex. Commun. Chem. 2020, 3, 41.
(13) Dai, L. #; Chen, Z.-N.#; Li, L.#; Yin, P.; Liu, Z.; Zhang, H.* Ultrathin Ni(0)-Embedded Ni(OH)2 Heterostructured Nanosheets with Enhanced Electrochemical Overall Water Splitting. Adv. Mater. 2020, 32, 1906915.
(14) Chen, S.#; Chen, Z.-N.#; Fang, W.-H.; Zhuang, W.*; Zhang, L.*; Zhang, J.* Ag10Ti28-Oxo Cluster Containing Single-Atom Silver Sites: Atomic Structure and Synergistic Electronic Properties. Angew. Chem. Int. Ed. 2019, 58, 10932-10935.
(15) You, H.#; Wu, D.#; Chen, Z.-N.#; Sun, F.; Zhang, H.; Chen, Z.; Cao, M.*; Zhuang, W.*; Cao, R.* Highly Active and Stable Water Splitting in Acidic Media Using a Bifunctional Iridium/Cucurbit 6 uril Catalyst. ACS Energy Lett. 2019, 4, 1301-1307 (Cover).
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(17) Xie, L.; Cheng, H.; Fang, D.; Chen, Z.-N.*; Yang, M.* Enhanced QM/MM sampling for free energy calculation of chemical reactions: A case study of double proton transfer. J. Chem. Phys. 2019, 150. 044111.
(18) Xie, L.; Yang, M.*; Chen, Z.-N.* Understanding the Entropic Effect in Chorismate Mutase Reaction Catalyzed by Isochorismate-Pyruvate Lyase from Pseudomonas Aeruginosa (PchB). Catal. Sci. Technol. 2019, 9, 957-965 (Back Cover).
(19) Chen, Z.-N.; Fu, G.; Zhang, I. Y.; Xu, X.* Understanding the Nonplanarity in Aromatic Metallabenzenes: A sigma-Control Mechanism. Inorg. Chem. 2018, 57, 9205-9214.
(20) Liu, M.; Lu, X.; Gao, L.*; Wang, S.; Huo, Y.*; Chen, Z.-N.* Polyvinyl Alcohol‐Based Thermogel with Tunable Gelation and Self‐Healing Property. Macromol. Chem. Phys. 2018, 1800162.
(21) Xie, L.; Shen, L.; Chen, Z.-N.*; Yang, M.* Efficient free energy calculations by combining two complementary tempering sampling methods. J. Chem. Phys. 2017, 146, 024103.
(22) Chen, Z.-N.#; Wang, K.#; Cui, D.; Wu A*. The new chemical insight for understanding the mechanism of Henry reaction over Cu(II) catalyst. Chem. Phys. Lett. 2017, 673, 7–10.
(23) Zou, F.; Tang, X.; Huang, Y. H.; Wan, S. G.; Lu, F.; Chen, Z.-N.*; Wu, A.*; Zhang, H. Fluorescence of a triple-stranded helicate iron(III) complex from a novel bis-beta-diketone ligand: synthesis, structure and spectroscopic studies. CrystEngComm 2016, 18, 6624-6631.
(24) Xie, L. X.; Chen, Z.-N.* Enhanced Molecular Dynamics Simulation of the Transformation between Alpha-Helix and Beta-Hairpin Structures for Peptide. Mol. Phys. 2016, 114, 2424-2431.
(25) Chen, Z.-N.; Chan, K. Y.; Pulleri, J. K.; Kong, J.; Hu, H.* Theoretical Study on the Mechanism of Aqueous Synthesis of Formic Acid Catalyzed by [Ru3+]-EDTA Complex. Inorg. Chem. 2015, 54, 1314-1324.
(26) Chen, Z.-N.*; Shen, L.; Yang, M. J.; Fu, G.; Hu, H.* Enhanced Ab Initio Molecular Dynamics Simulation of the Temperature-Dependent Thermodynamics for the Diffusion of Carbon Monoxide on Ru(0001) Surface. J. Phys. Chem. C 2015, 119, 26422-26428.
(27) Chen, Z.-N.; Fu, G.; Xu, X.* Theoretical studies on Grignard reagent formation: radical mechanism versus non-radical mechanism. Org. Biomol. Chem. 2012, 10, 9491-9500.
(28) Chen, Z.-N.; Fu, G.; Xu, X.* How to Prepare a Chiral Grignard Reagent: A Theoretical Proposal. Org. Lett. 2011, 13, 2046-2049.
陈浙宁
福建省
研究领域：
天然气化工,新材料,石油炼制,石油化工,精细化工
研究方向：
理论催化、金属有机芳香化学、自由能模拟
所在单位：
中国科学院福建物质结构研究所
