Jun Li - Publications

Affiliations: 
1995-2000 Chemistry Ohio State University, Columbus, Columbus, OH 
 2005- Chemistry Tsinghua University, Beijing, Beijing Shi, China 

285 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Li Y, Xu CQ, Chen C, Zhang Y, Liu S, Zhuang Z, Zhang Y, Zhang Q, Li Z, Chen Z, Zheng L, Cheong WC, Wu K, Jiang G, Xiao H, ... ... Li J, et al. Carbon-Boosted and Nitrogen-Stabilized Isolated Single-Atom Sites for Direct Dehydrogenation of Lower Alkanes. Journal of the American Chemical Society. PMID 39031766 DOI: 10.1021/jacs.4c03048  0.641
2024 Li X, Huang JC, Zhang GZ, Li HE, Shen ZP, Zhao C, Li J, Hu HS. Improved optimization for the neural-network quantum states and tests on the chromium dimer. The Journal of Chemical Physics. 160. PMID 38884396 DOI: 10.1063/5.0214150  0.586
2024 Zhao XK, Zhang YY, Zhao J, Hu HS, Li J. Understanding the Electronic Structure and Chemical Bonding in the 2D Fullerene Monolayer. Inorganic Chemistry. PMID 38866714 DOI: 10.1021/acs.inorgchem.4c00811  0.65
2024 Qian SJ, Cao H, Wang YG, Li J. Controlling the Selectivity of Electrocatalytic NO Reduction through pH and Potential Regulation on Single-Atom Catalysts. Journal of the American Chemical Society. PMID 38664859 DOI: 10.1021/jacs.4c00827  0.616
2024 Wang H, Ding P, Xia GJ, Zhao X, E W, Yu M, Ma Z, Wang YG, Wang LS, Li J, Yang X. Formation of Supernarrow Borophene Nanoribbons. Angewandte Chemie (International Ed. in English). e202406535. PMID 38652809 DOI: 10.1002/anie.202406535  0.627
2024 Dong XR, Zhang JX, Chen TT, Xu CQ, Li J. Metal-Centered Boron-Wheel Cluster of Y©B with Rare Symmetry. Inorganic Chemistry. PMID 38546717 DOI: 10.1021/acs.inorgchem.3c04636  0.588
2024 Xu L, Zhao XK, Cao H, Hu HS, Li J, Chen J, Xu C. Complexation of Hexavalent Neptunium(VI) with Oxydiacetic Acid and Its Amide Derivatives in Aqueous Solution: Spectrophotometry and DFT Calculations. Inorganic Chemistry. PMID 38530927 DOI: 10.1021/acs.inorgchem.3c04221  0.611
2024 Zhang YY, Zheng H, Wang T, Jiang S, Yan W, Wang C, Zhao Y, Lu JB, Hu HS, Yang J, Zhang W, Wu G, Xie H, Li G, Jiang L, ... Li J, et al. Spectroscopic and Theoretical Identifications of Two Structural Motifs of (HO) Cluster. The Journal of Physical Chemistry Letters. 3055-3060. PMID 38466221 DOI: 10.1021/acs.jpclett.4c00210  0.634
2024 Xiang H, Cheng R, Ruan C, Meng C, Gan Y, Cheng W, Zhao Y, Xu CQ, Li J, Yao C. A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties. Nanoscale. PMID 38305474 DOI: 10.1039/d3nr06015b  0.562
2024 Cao H, Lv X, Qian S, Li J, Wang YG. Constant Potential Thermodynamic Integration for Obtaining the Free Energy Profile of Electrochemical Reaction. The Journal of Physical Chemistry Letters. 1314-1320. PMID 38285648 DOI: 10.1021/acs.jpclett.3c03318  0.615
2024 Zhang Z, Li J, Wang YG. Modeling Interfacial Dynamics on Single Atom Electrocatalysts: Explicit Solvation and Potential Dependence. Accounts of Chemical Research. PMID 38166366 DOI: 10.1021/acs.accounts.3c00589  0.743
2023 Xu G, Cui YS, Jiang XL, Xu CQ, Li J, Chen XD. Synthesis and characterization of iron clusters with an icosahedral [Fe@Fe] Core. National Science Review. 11: nwad327. PMID 38487495 DOI: 10.1093/nsr/nwad327  0.518
2023 Fei Z, Wang JQ, Tang R, Lu Y, Han C, Wang Y, Hong J, Dong C, Hu HS, Xiong XG, Ning C, Liu H, Li J. Author Correction: The unusual quadruple bonding of nitrogen in ThN. Nature Communications. 14: 8471. PMID 38123578 DOI: 10.1038/s41467-023-44262-3  0.778
2023 Fei Z, Wang JQ, Tang R, Lu Y, Han C, Wang Y, Hong J, Dong C, Hu HS, Xiong XG, Ning C, Liu H, Li J. The unusual quadruple bonding of nitrogen in ThN. Nature Communications. 14: 7677. PMID 37996410 DOI: 10.1038/s41467-023-43208-z  0.793
2023 You Q, Jiang XL, Fan W, Cui YS, Zhao Y, Zhuang S, Gu W, Liao L, Xu CQ, Li J, Wu Z. Pd8 Nanocluster with Nonmetal-to-Metallo-Aromatic-Ring Coordination and Promising Photothermal Conversion Efficiency. Angewandte Chemie (International Ed. in English). e202313491. PMID 37990769 DOI: 10.1002/anie.202313491  0.549
2023 Yao YR, Zhao J, Meng Q, Hu HS, Guo M, Yan Y, Zhuang J, Yang S, Fortier S, Echegoyen L, Schwarz WHE, Li J, Chen N. Synthesis and Characterization of U≡C Triple Bonds in Fullerene Compounds. Journal of the American Chemical Society. PMID 37955678 DOI: 10.1021/jacs.3c10042  0.729
2023 Cao CS, Zhao J, Hu HS, Schwarz WHE, Li J. Polyvalent s-block elements: A missing link challenges the periodic law of chemistry for the heavy elements. Proceedings of the National Academy of Sciences of the United States of America. 120: e2303989120. PMID 37856546 DOI: 10.1073/pnas.2303989120  0.704
2023 Ruan C, Xiang H, Yan H, Deng Y, Zhao Y, Xu CQ, Li J, Yao C. Au Cd (SC H ) : A Glance at Structure-Property Relationship. Small (Weinheim An Der Bergstrasse, Germany). e2305056. PMID 37632298 DOI: 10.1002/smll.202305056  0.542
2023 Jia Y, Xu CQ, Cui C, Geng L, Zhang H, Zhang YY, Lin S, Yao J, Luo Z, Li J. Rh: A high-spin super-octahedron cluster. Science Advances. 9: eadi0214. PMID 37585530 DOI: 10.1126/sciadv.adi0214  0.57
2023 Chen G, Liu X, An J, Wang S, Zhao X, Gu Z, Yuan C, Xu X, Bao J, Hu HS, Li J, Wang X. Nucleation-mediated growth of chiral 3D organic-inorganic perovskite single crystals. Nature Chemistry. PMID 37550390 DOI: 10.1038/s41557-023-01290-2  0.577
2023 Yin C, Jiang YF, Huang F, Xu CQ, Pan Y, Gao S, Chen GQ, Ding X, Bai ST, Lang Q, Li J, Zhang X. A 13-million turnover-number anionic Ir-catalyst for a selective industrial route to chiral nicotine. Nature Communications. 14: 3718. PMID 37349291 DOI: 10.1038/s41467-023-39375-8  0.511
2023 Wang C, Tian CY, Zhao Y, Jiang S, Wang T, Zheng H, Yan W, Li G, Xie H, Li J, Hu HS, Yang X, Jiang L. Observation of Confinement-Free Neutral Group Three Transition Metal Carbonyls Sc(CO)7 and TM(CO)8 (TM = Y, La). Angewandte Chemie (International Ed. in English). e202305490. PMID 37340827 DOI: 10.1002/anie.202305490  0.637
2023 Cao H, Wang Q, Zhang Z, Yan HM, Zhao H, Yang HB, Liu B, Li J, Wang YG. Engineering Single-Atom Electrocatalysts for Enhancing Kinetics of Acidic Volmer Reaction. Journal of the American Chemical Society. PMID 37285479 DOI: 10.1021/jacs.2c13418  0.746
2023 Harrath K, Yao Z, Jiang YF, Wang YG, Li J. Activity Origin of the Nickel Cluster on TiC Support for Nonoxidative Methane Conversion. The Journal of Physical Chemistry Letters. 14: 4033-4041. PMID 37093648 DOI: 10.1021/acs.jpclett.3c00375  0.619
2023 Tian XR, Jiang ZY, Hou SL, Hu HS, Li J, Zhao B. A Strong-Acid-Resistant [Th6] Cluster-Based Framework for Effectively and Size-Selectively Catalyzing Reductive Amination of Aldehydes with N,N-Dimethylformamide. Angewandte Chemie (International Ed. in English). e202301764. PMID 37012530 DOI: 10.1002/anie.202301764  0.619
2023 Wan X, Li J, Li N, Zhang J, Gu Y, Chen G, Ju S. Preparation of Spherical Ultrafine Silver Particles Using Y-Type Microjet Reactor. Materials (Basel, Switzerland). 16. PMID 36984097 DOI: 10.3390/ma16062217  0.307
2023 Xia Z, Yin Y, Li J, Xiao H. Single-atom catalysis enabled by high-energy metastable structures. Chemical Science. 14: 2631-2639. PMID 36908952 DOI: 10.1039/d2sc06962h  0.475
2023 Li N, Li J, Wan X, Niu Y, Gu Y, Chen G, Ju S. Preparation of Micro-Size Spherical Silver Particles and Their Application in Conductive Silver Paste. Materials (Basel, Switzerland). 16. PMID 36837362 DOI: 10.3390/ma16041733  0.301
2023 Zheng H, Zhang YY, Wang T, Jiang S, Yan W, Wang C, Zhao Y, Hu HS, Yang J, Zhang W, Wu G, Dai D, Li G, Li J, Yang X, et al. Spectroscopic snapshot for neutral water nonamer (HO): Adding a HO onto a hydrogen bond-unbroken edge of (HO). The Journal of Chemical Physics. 158: 014301. PMID 36610966 DOI: 10.1063/5.0131217  0.627
2022 Lu JB, Jiang XL, Hu HS, Li J. Norm-Conserving 4f-in-Core Pseudopotentials and Basis Sets Optimized for Trivalent Lanthanides (Ln = Ce-Lu). Journal of Chemical Theory and Computation. 19: 82-96. PMID 36512750 DOI: 10.1021/acs.jctc.2c00922  0.609
2022 Zhang J, Cao X, Jiang YF, Hung SF, Liu W, Yang HB, Xu CQ, Li DS, Zhang T, Li Y, Li J, Liu B. Surface enrichment of Ir on the IrRu alloy for efficient and stable water oxidation catalysis in acid. Chemical Science. 13: 12114-12121. PMID 36349089 DOI: 10.1039/d2sc03947h  0.535
2022 Liu JC, Luo L, Xiao H, Zhu J, He Y, Li J. Metal Affinity of Support Dictates Sintering of Gold Catalysts. Journal of the American Chemical Society. PMID 36327200 DOI: 10.1021/jacs.2c06785  0.441
2022 Wang ZL, Chen TT, Chen WJ, Li WL, Zhao J, Jiang XL, Li J, Wang LS, Hu HS. The smallest 4f-metalla-aromatic molecule of cyclo-PrB with Pr-B multiple bonds. Chemical Science. 13: 10082-10094. PMID 36128247 DOI: 10.1039/d2sc02852b  0.643
2022 Zhao XK, Cao CS, Liu JC, Lu JB, Li J, Hu HS. Theoretical prediction of a graphene-like 2D uranyl material with p-orbital antiferromagnetism. Chemical Science. 13: 8518-8525. PMID 35974750 DOI: 10.1039/d2sc02017c  0.61
2022 Zhao J, Chi CX, Meng LY, Jiang XL, Grunenberg J, Hu HS, Zhou MF, Li J, Schwarz WHE. Cis- and trans-binding influences in [NUO·(N)]. The Journal of Chemical Physics. 157: 054301. PMID 35933208 DOI: 10.1063/5.0098068  0.731
2022 Cui YS, Zhang JX, Xu CQ, Jiang XL, Li J. Bonding Nature of "Ionic Carbenes" in [M(μ-CH)]-Containing Compounds: The Covalent Interaction. Inorganic Chemistry. PMID 35877827 DOI: 10.1021/acs.inorgchem.2c01726  0.572
2022 Tian YQ, Cui YS, Zhu JH, Xu CQ, Yi XY, Li J, Liu C. Ancillary ligand-regulated Ti(IV)-based metallocalixarene coordination cages for photocatalytic H evolution. Chemical Communications (Cambridge, England). PMID 35876039 DOI: 10.1039/d2cc03131k  0.526
2022 Xiang H, Yan H, Liu J, Cheng R, Xu CQ, Li J, Yao C. Identifying the Real Chemistry of the Synthesis and Reversible Transformation of AuCd Bimetallic Clusters. Journal of the American Chemical Society. PMID 35737965 DOI: 10.1021/jacs.2c05053  0.569
2022 Tian YQ, Cui YS, Yu WD, Xu CQ, Yi XY, Yan J, Li J, Liu C. An ultrastable Ti-based metallocalixarene nanocage cluster with photocatalytic amine oxidation activity. Chemical Communications (Cambridge, England). PMID 35502757 DOI: 10.1039/d2cc01740g  0.531
2022 Lu JB, Jiang XL, Wang JQ, Hu HS, Schwarz WHE, Li J. On the highest oxidation states of the actinoids in AnO molecules (An = Ac - Cm): A DMRG-CASSCF study. Journal of Computational Chemistry. PMID 35420170 DOI: 10.1002/jcc.26856  0.726
2022 Wang Z, Lu JB, Dong X, Yan Q, Feng X, Hu HS, Wang S, Chen J, Li J, Xu C. Ultra-Efficient Americium/Lanthanide Separation through Oxidation State Control. Journal of the American Chemical Society. PMID 35353513 DOI: 10.1021/jacs.2c00594  0.6
2022 Jiao J, Zhang NN, Zhang C, Sun N, Pan Y, Chen C, Li J, Tan M, Cui R, Shi Z, Zhang J, Xiao H, Lu T. Doping Ruthenium into Metal Matrix for Promoted pH-Universal Hydrogen Evolution. Advanced Science (Weinheim, Baden-Wurttemberg, Germany). e2200010. PMID 35332693 DOI: 10.1002/advs.202200010  0.467
2022 Deng Y, Guo Y, Jia Z, Liu JC, Guo J, Cai X, Dong C, Wang M, Li C, Diao J, Jiang Z, Xie J, Wang N, Xiao H, Xu B, ... ... Li J, et al. Few-Atom Pt Ensembles Enable Efficient Catalytic Cyclohexane Dehydrogenation for Hydrogen Production. Journal of the American Chemical Society. PMID 35107999 DOI: 10.1021/jacs.1c12261  0.458
2021 Li J, Jiang YF, Wang Q, Xu CQ, Wu D, Banis MN, Adair KR, Doyle-Davis K, Meira DM, Finfrock YZ, Li W, Zhang L, Sham TK, Li R, Chen N, ... ... Li J, et al. A general strategy for preparing pyrrolic-N type single-atom catalysts via pre-located isolated atoms. Nature Communications. 12: 6806. PMID 34815417 DOI: 10.1038/s41467-021-27143-5  0.562
2021 Geng L, Weng M, Xu CQ, Zhang H, Cui C, Wu H, Chen X, Hu M, Lin H, Sun ZD, Wang X, Hu HS, Li J, Zheng J, Luo Z, et al. CoO-metalloxocubes: a new class of perovskite-like neutral clusters with cubic aromaticity. National Science Review. 8: nwaa201. PMID 34691557 DOI: 10.1093/nsr/nwaa201  0.719
2021 Guo Y, Wang RY, Kang JX, Ma YN, Xu CQ, Li J, Chen X. Efficient synthesis of primary and secondary amides via reacting esters with alkali metal amidoboranes. Nature Communications. 12: 5964. PMID 34645807 DOI: 10.1038/s41467-021-25836-5  0.512
2021 Yuan SF, Xu CQ, Liu WD, Zhang JX, Li J, Wang QM. Rod-Shaped Silver Supercluster Unveiling Strong Electron Coupling between Substituent Icosahedral Units. Journal of the American Chemical Society. PMID 34324334 DOI: 10.1021/jacs.1c05283  0.54
2021 He SY, Li TH, Huang ZQ, Liu Y, Li J, Chang CR. Screening silica-confined single-atom catalysts for nonoxidative conversion of methane. The Journal of Chemical Physics. 154: 174706. PMID 34241060 DOI: 10.1063/5.0048962  0.663
2021 Fu W, Xia GJ, Zhang Y, Hu J, Wang YG, Li J, Li X, Li B. Using general computational chemistry strategy to unravel the reactivity of emerging pollutants: An example of sulfonamide chlorination. Water Research. 202: 117391. PMID 34233248 DOI: 10.1016/j.watres.2021.117391  0.626
2021 Meng G, Ji K, Zhang W, Kang Y, Wang Y, Zhang P, Wang YG, Li J, Cui T, Sun X, Tan T, Wang D, Li Y. Tandem catalyzing the hydrodeoxygenation of 5-hydroxymethylfurfural over a NiFe intermetallic supported Pt single-atom site catalyst. Chemical Science. 12: 4139-4146. PMID 34163686 DOI: 10.1039/d0sc05983h  0.635
2021 Jiang XL, Xu CQ, Lu JB, Cao CS, Schmidbaur H, Schwarz WHE, Li J. Electronic Structure and Spectroscopic Properties of Group-7 Tri-Oxo-Halides MOX (M = Mn-Bh, X = F-Ts). Inorganic Chemistry. PMID 34152757 DOI: 10.1021/acs.inorgchem.1c00626  0.703
2021 Lu JB, Cantu DC, Xu CQ, Nguyen MT, Hu HS, Glezakou VA, Rousseau R, Li J. Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments. Journal of Chemical Theory and Computation. PMID 34032441 DOI: 10.1021/acs.jctc.1c00026  0.711
2021 Huang T, Zhao L, Jiang X, Yu W, Xu B, Wang X, Schwarz WHE, Li J. Metal Oxo-Fluoride Molecules OMF (M = Mn and Fe; = 1-4) and OMnF: Matrix Infrared Spectra and Quantum Chemistry. Inorganic Chemistry. PMID 34029065 DOI: 10.1021/acs.inorgchem.0c03806  0.58
2021 Kulichenko M, Chen WJ, Zhang YY, Xu CQ, Li J, Wang LS. Double σ-Aromaticity in a Planar Zinc-Doped Gold Cluster: AuZn. The Journal of Physical Chemistry. A. PMID 34014680 DOI: 10.1021/acs.jpca.1c02954  0.61
2021 Zhou M, Wang G, Zhao J, Hu HS, Li J. Formation and Characterization of BeFe(CO)4- Anion with Beryllium-Iron Bonding. Angewandte Chemie (International Ed. in English). PMID 33400362 DOI: 10.1002/anie.202015760  0.632
2020 Wu C, Zhao C, Zhou J, Hu HS, Li J, Wu P, Chen C. Wet carbonate-promoted radical arylation of vinyl pinacolboronates with diaryliodonium salts yields substituted olefins. Communications Chemistry. 3: 92. PMID 36703314 DOI: 10.1038/s42004-020-00343-8  0.6
2020 Xiao Y, Zhao XK, Wu T, Miller JT, Hu HS, Li J, Huang W, Diaconescu PL. Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. Chemical Science. 12: 227-238. PMID 34168742 DOI: 10.1039/d0sc03555f  0.634
2020 Cao C, Vernon RE, Schwarz WHE, Li J. Understanding Periodic and Non-periodic Chemistry in Periodic Tables. Frontiers in Chemistry. 8: 813. PMID 33490030 DOI: 10.3389/fchem.2020.00813  0.538
2020 Baskaran S, Xu CQ, Jiang Y, Wang YG, Li J. Phosphorene Supported Single-Atom Catalysts for CO Oxidation: A Computational Study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 33289945 DOI: 10.1002/cphc.202000950  0.744
2020 Li G, Zhang YY, Li Q, Wang C, Yu Y, Zhang B, Hu HS, Zhang W, Dai D, Wu G, Zhang DH, Li J, Yang X, Jiang L. Infrared spectroscopic study of hydrogen bonding topologies in the smallest ice cube. Nature Communications. 11: 5449. PMID 33116144 DOI: 10.1038/s41467-020-19226-6  0.644
2020 Zhuo HY, Zhang X, Liang JX, Yu Q, Xiao H, Li J. Theoretical Understandings of Graphene-based Metal Single-Atom Catalysts: Stability and Catalytic Performance. Chemical Reviews. PMID 33112608 DOI: 10.1021/acs.chemrev.0c00818  0.421
2020 Wang Z, Hu H, von Szentpály L, Stoll H, Fritzsche S, PyykkÖ P, Schwarz WHE, Li J. Understanding the Uniqueness of the 2p-Elements in the Periodic Table. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32975862 DOI: 10.1002/chem.202003920  0.698
2020 Han S, Cai C, Xia GJ, Sun C, Shi X, Zhou W, Li J, Wang YG, Gu M. Carbon Monoxide Gas Induced 4H-to- Phase Transformation of Gold As Revealed by Transmission Electron Microscopy. Inorganic Chemistry. PMID 32945649 DOI: 10.1021/Acs.Inorgchem.0C02209  0.655
2020 Yao C, Guo N, Xi S, Xu CQ, Liu W, Zhao X, Li J, Fang H, Su J, Chen Z, Yan H, Qiu Z, Lyu P, Chen C, Xu H, ... ... Li J, et al. Atomically-precise dopant-controlled single cluster catalysis for electrochemical nitrogen reduction. Nature Communications. 11: 4389. PMID 32873783 DOI: 10.1038/S41467-020-18080-W  0.597
2020 Wang Q, Xu CQ, Liu W, Hung SF, Bin Yang H, Gao J, Cai W, Chen HM, Li J, Liu B. Coordination engineering of iridium nanocluster bifunctional electrocatalyst for highly efficient and pH-universal overall water splitting. Nature Communications. 11: 4246. PMID 32843622 DOI: 10.1038/S41467-020-18064-W  0.543
2020 Li J, Liu Y, Liu JC, Li TH, Duan ZH, Zhang TY, Yan M, Li WL, Xiao H, Wang YG, Chang CR. Unravelling the Enigma of Nonoxidative Conversion of Methane on Iron Single-Atom Catalysts. Angewandte Chemie (International Ed. in English). PMID 32643319 DOI: 10.1002/Anie.202003908  0.781
2020 Li J, Geng C, Weiske T, Zhou M, Li J, Schwarz H. Revisiting the Intriguing Electronic Features of the BeOBeC Carbyne and Some Isomers: A Quantum-Chemical Assessment. Angewandte Chemie (International Ed. in English). PMID 32568419 DOI: 10.1002/Anie.202007990  0.334
2020 Li Z, Chen Y, Ji S, Tang Y, Chen W, Li A, Zhao J, Xiong Y, Wu Y, Gong Y, Yao T, Liu W, Zheng L, Dong J, Wang Y, ... ... Li J, et al. Iridium single-atom catalyst on nitrogen-doped carbon for formic acid oxidation synthesized using a general host-guest strategy. Nature Chemistry. PMID 32541950 DOI: 10.1038/S41557-020-0473-9  0.367
2020 Zhang B, Yu Y, Zhang YY, Jiang S, Li Q, Hu HS, Li G, Zhao Z, Wang C, Xie H, Zhang W, Dai D, Wu G, Zhang DH, Jiang L, Li J, et al. Infrared spectroscopy of neutral water clusters at finite temperature: Evidence for a noncyclic pentamer. Proceedings of the National Academy of Sciences of the United States of America. PMID 32541029 DOI: 10.1073/Pnas.2000601117  0.645
2020 Zhou X, Li K, Lin Y, Song L, Liu J, Liu Y, Zhang L, Wu Z, Song S, Li J, Zhang H. A Single-Atom Manipulation Approach for Synthesis of Atomically Mixed Nanoalloys as Efficient Catalysts. Angewandte Chemie (International Ed. in English). PMID 32495981 DOI: 10.1002/Anie.202004945  0.347
2020 Chen TT, Li WL, Chen WJ, Yu XH, Dong XR, Li J, Wang LS. Spherical trihedral metallo-borospherenes. Nature Communications. 11: 2766. PMID 32488008 DOI: 10.1038/S41467-020-16532-X  0.376
2020 Zheng Y, Cao CS, Ma W, Chen T, Wu B, Yu C, Huang Z, Yin J, Hu HS, Li J, Zhang WX, Xi Z. 2-Butene Tetraanion Bridged Dinuclear Samarium(III) Complexes via Sm(II)-Mediated Reduction of Electron-Rich Olefins. Journal of the American Chemical Society. PMID 32408744 DOI: 10.1021/Jacs.0C01690  0.662
2020 Li J, Liang JX, Lin J, Liu J, Wang X, Zhang T. Dual metal active sites in an Ir1/FeOx single-atom catalyst: a redox mechanism for the water-gas-shift reaction. Angewandte Chemie (International Ed. in English). PMID 32289203 DOI: 10.1002/Anie.201914867  0.368
2020 Cai K, Shi Y, Cao C, Vemuri S, Cui B, Shen D, Wu H, Zhang L, Qiu Y, Chen H, Jiao Y, Stern CL, Alsubaie FM, Xiao H, Li J, et al. Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical Science. 11: 107-112. PMID 32110362 DOI: 10.1039/C9Sc04860J  0.423
2020 Zhou M, Li WL, Zhang Q, Chen M, Hu HS, Li J. Formation and Characterization of a BeOBeC Multiple Radical Featuring a Quartet Carbyne Moiety. Angewandte Chemie (International Ed. in English). PMID 32017342 DOI: 10.1002/Anie.202000910  0.667
2020 Lu J, Yao C, Xu CQ, Park IH, Zhao M, Zhu Z, Li J, Hai X, Fang H, Zhang Y, Macam G, Teng J, Li L, Xu QH, Chuang FC, ... ... Li J, et al. Giant emission enhancement of solid-state gold nanoclusters via surface engineering. Angewandte Chemie (International Ed. in English). PMID 32003098 DOI: 10.1002/Anie.202001034  0.561
2020 Liu JC, Xiao H, Li J. Constructing High-Loading Single-Atom/Cluster Catalysts via an Electrochemical Potential Window Strategy. Journal of the American Chemical Society. PMID 31994381 DOI: 10.1021/Jacs.9B06808  0.524
2020 Han S, Xia GJ, Cai C, Wang Q, Wang YG, Gu M, Li J. Gas-assisted transformation of gold from fcc to the metastable 4H phase. Nature Communications. 11: 552. PMID 31992711 DOI: 10.1038/S41467-019-14212-Z  0.631
2020 Zhang B, Yu Y, Zhang Z, Zhang Y, Jiang S, Li Q, Yang S, Hu H, Zhang W, Dai D, Wu G, Li J, Zhang D, Yang X, Jiang L. Infrared Spectroscopy of Neutral Water Dimer Based on a Tunable Vacuum Ultraviolet Free Electron Laser. The Journal of Physical Chemistry Letters. PMID 31944117 DOI: 10.1021/Acs.Jpclett.9B03683  0.619
2020 Geng L, Weng M, Xu C, Zhang H, Cui C, Wu H, Chen X, Hu M, Lin H, Sun Z, Wang X, Hu H, Li J, Zheng J, Luo Z, et al. Co13O8—Metalloxocubes: A new class of perovskite-like neutral clusters with cubic aromaticity National Science Review. DOI: 10.1093/Nsr/Nwaa201  0.621
2020 Zhang X, Wang Y, Gu M, Wang M, Zhang Z, Pan W, Jiang Z, Zheng H, Lucero M, Wang H, Sterbinsky GE, Ma Q, Wang Y, Feng Z, Li J, et al. Molecular engineering of dispersed nickel phthalocyanines on carbon nanotubes for selective CO2 reduction Nature Energy. 1-9. DOI: 10.1038/S41560-020-0667-9  0.729
2020 Chen Z, Chen Y, Chao S, Dong X, Chen W, Luo J, Liu C, Wang D, Chen C, Li W, Li J, Li Y. Single-Atom AuI–N3 Site for Acetylene Hydrochlorination Reaction Acs Catalysis. 10: 1865-1870. DOI: 10.1021/Acscatal.9B05212  0.318
2020 Talib SH, Hussain S, Baskaran S, Lu Z, Li J. Chromium (Cr) Single-Atom Catalysts with Graphyne (GY) Supported: A Theoretical Study of NO Oxidation and Reduction Acs Catalysis. DOI: 10.1021/Acscatal.0C01175  0.351
2020 Li T, Yan M, Liu Y, Huang Z, Chang C, Li J. Cooperative Catalysis by Multiple Active Centers in Nonoxidative Conversion of Methane The Journal of Physical Chemistry C. 124: 13656-13663. DOI: 10.1021/Acs.Jpcc.0C01422  0.642
2020 Huai L, Du W, Zhang Z, Zhang X, Zhang Z, Chen Z, Wu J, Wang D, Li J. The mechanism of V-modification in Li2CoSiO4 cathode material for Li-ion batteries: A combined first-principles and experimental study Electrochimica Acta. 353: 136564. DOI: 10.1016/J.Electacta.2020.136564  0.33
2020 Talib SH, Baskaran S, Yu X, Yu Q, Bashir B, Muhammad S, Hussain S, Chen X, Li J. Non-noble metal single-atom catalyst of Co 1 /MXene (Mo 2 CS 2 ) for CO oxidation Science China. Materials. 1-13. DOI: 10.1007/S40843-020-1458-5  0.39
2020 Talib SH, Yu X, Yu Q, Baskaran S, Li J. Non-noble metal single-atom catalysts with phosphotungstic acid (PTA) support: A theoretical study of ethylene epoxidation Science China. Materials. 63: 1003-1014. DOI: 10.1007/S40843-020-1399-Y  0.366
2019 Bai H, Chen TT, Chen Q, Zhao XY, Zhang YY, Chen WJ, Li WL, Cheung LF, Bai B, Cavanagh J, Huang W, Li SD, Li J, Wang LS. Planar B and B clusters with double-hexagonal vacancies. Nanoscale. PMID 31782482 DOI: 10.1039/C9Nr09522E  0.37
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2019 Chen XM, Liu SC, Xu CQ, Jing Y, Wei D, Li J, Chen X. Correction: Unravelling a general mechanism of converting ionic B/N complexes into neutral B/N analogues of alkanes: HH dihydrogen bonding assisted dehydrogenation. Chemical Communications (Cambridge, England). PMID 31612873 DOI: 10.1039/c9cc90448d  0.518
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2019 Hu SX, Jian J, Li J, Gibson JK. Destruction of the Uranyl Moiety in a U(V) "Cation-Cation" Interaction. Inorganic Chemistry. PMID 31318537 DOI: 10.1021/Acs.Inorgchem.9B01265  0.31
2019 Chen Z, Li J, Zeng XC. Unraveling Oxygen Evolution in Li-Rich Oxides: A Unified Modeling of the Intermediate Peroxo/Superoxo-like Dimers. Journal of the American Chemical Society. PMID 31251049 DOI: 10.1021/Jacs.9B03710  0.331
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2016 Sun L, Yu T, Guo J, Zhang Z, Hu Y, Xiao X, Sun Y, Xiao H, Li J, Zhu D, Sai L, Li J. The estrogenicity of methylparaben and ethylparaben at doses close to the acceptable daily intake in immature Sprague-Dawley rats. Scientific Reports. 6: 25173. PMID 27121550 DOI: 10.1038/srep25173  0.347
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2016 Liu JC, Tang Y, Chang CR, Wang YG, Li J. Mechanistic Insights into Propene Epoxidation with O2-H2O Mixture on Au7/α-Al2O3: A Hydroproxyl Pathway from ab Initio Molecular Dynamics Simulations Acs Catalysis. 6: 2525-2535. DOI: 10.1021/Acscatal.6B00021  0.791
2016 Zhou H, Yang X, Li L, Liu X, Huang Y, Pan X, Wang A, Li J, Zhang T. PdZn Intermetallic Nanostructure with Pd-Zn-Pd Ensembles for Highly Active and Chemoselective Semi-Hydrogenation of Acetylene Acs Catalysis. 6: 1054-1061. DOI: 10.1021/Acscatal.5B01933  0.307
2016 Tang Y, Zhao S, Long B, Liu J, Li J. On the Nature of Support Effects of Metal Dioxides MO2 (M = Ti, Zr, Hf, Ce, Th) in Single-Atom Gold Catalysts: Importance of Quantum Primogenic Effect Journal of Physical Chemistry C. 120: 17514-17526. DOI: 10.1021/Acs.Jpcc.6B05338  0.621
2016 Wang Y, Yang X, Li J. Theoretical studies of CO oxidation with lattice oxygen on Co3O4 surfaces Chinese Journal of Catalysis. 37: 193-198. DOI: 10.1016/S1872-2067(15)60969-X  0.64
2016 Su J, Hu S, Huang W, Zhou M, Li J. On the oxidation states of metal elements in MO3 - (M=V, Nb, Ta, Db, Pr, Gd, Pa) anions Science China Chemistry. 59: 442-451. DOI: 10.1007/S11426-015-5481-Z  0.467
2016 Xu C, Xiong X, Li W, Li J. Periodicity and Covalency of [MX2]-(M = Cu, Ag, Au, Rg; X = H, Cl, CN) Complexes European Journal of Inorganic Chemistry. 2016: 1395-1404. DOI: 10.1002/Ejic.201600002  0.805
2015 Cao S, Cui Y, Xiao H, Mai M, Wang C, Xie S, Yang J, Wu S, Li J, Song L, Guo X, Lin C. Upregulation of flotillin-1 promotes invasion and metastasis by activating TGF-β signaling in nasopharyngeal carcinoma. Oncotarget. PMID 26646322 DOI: 10.18632/oncotarget.6483  0.33
2015 Li WL, Li Y, Xu CQ, Wang XB, Vorpagel E, Li J. Periodicity, Electronic Structures, and Bonding of Gold Tetrahalides [AuX4](-) (X = F, Cl, Br, I, At, Uus). Inorganic Chemistry. PMID 26550845 DOI: 10.1021/Acs.Inorgchem.5B01489  0.607
2015 Hu HC, Hu HS, Zhao B, Cui P, Cheng P, Li J. Metal-Organic Frameworks (MOFs) of a Cubic Metal Cluster with Multicentered Mn(I) Mn(I) Bonds. Angewandte Chemie (International Ed. in English). 54: 11681-5. PMID 26265186 DOI: 10.1002/Anie.201504758  0.627
2015 Zhang Q, Li WL, Xu CQ, Chen M, Zhou M, Li J, Andrada DM, Frenking G. Formation and Characterization of the Boron Dicarbonyl Complex [B(CO)2 ](.). Angewandte Chemie (International Ed. in English). 54: 11078-83. PMID 26246464 DOI: 10.1002/Anie.201503686  0.533
2015 Jiang N, Schwarz WH, Li J. Theoretical Studies on Hexanuclear Oxometalates [M6L19](q-) (M = Cr, Mo, W, Sg, Nd, U). Electronic Structures, Oxidation States, Aromaticity, and Stability. Inorganic Chemistry. 54: 7171-80. PMID 26161576 DOI: 10.1021/acs.inorgchem.5b00372  0.637
2015 Su J, Dau PD, Liu HT, Huang DL, Wei F, Schwarz WH, Li J, Wang LS. Photoelectron spectroscopy and theoretical studies of gaseous uranium hexachlorides in different oxidation states: UCl6 (q-) (q = 0-2). The Journal of Chemical Physics. 142: 134308. PMID 25854244 DOI: 10.1063/1.4916399  0.648
2015 Cao GJ, Schwarz WH, Li J. An 18-electron system containing a superheavy element: theoretical studies of sg@au12. Inorganic Chemistry. 54: 3695-701. PMID 25797788 DOI: 10.1021/acs.inorgchem.5b00356  0.62
2015 Gibson JK, Hu HS, Van Stipdonk MJ, Berden G, Oomens J, Li J. Infrared multiphoton dissociation spectroscopy of a gas-phase complex of uranyl and 3-oxa-glutaramide: an extreme red-shift of the [O═U═O](2+) asymmetric stretch. The Journal of Physical Chemistry. A. 119: 3366-74. PMID 25785482 DOI: 10.1021/Jp512599E  0.592
2015 Xiao B, Niu Z, Wang YG, Jia W, Shang J, Zhang L, Wang D, Fu Y, Zeng J, He W, Wu K, Li J, Yang J, Liu L, Li Y. Copper nanocrystal plane effect on stereoselectivity of catalytic deoxygenation of aromatic epoxides. Journal of the American Chemical Society. 137: 3791-4. PMID 25778784 DOI: 10.1021/Jacs.5B01391  0.63
2015 Wang YG, Mei D, Glezakou VA, Li J, Rousseau R. Dynamic formation of single-atom catalytic active sites on ceria-supported gold nanoparticles. Nature Communications. 6: 6511. PMID 25735407 DOI: 10.1038/Ncomms7511  0.638
2015 Cui P, Hu HS, Zhao B, Miller JT, Cheng P, Li J. A multicentre-bonded [Zn(I)]8 cluster with cubic aromaticity. Nature Communications. 6: 6331. PMID 25704327 DOI: 10.1038/Ncomms7331  0.627
2015 Xiong XG, Wang YL, Xu CQ, Qiu YH, Wang LS, Li J. On the gold-ligand covalency in linear [AuX2](-) complexes. Dalton Transactions (Cambridge, England : 2003). 44: 5535-46. PMID 25697291 DOI: 10.1039/C4Dt04031G  0.802
2015 Chen Q, Li WL, Zhao YF, Zhang SY, Hu HS, Bai H, Li HR, Tian WJ, Lu HG, Zhai HJ, Li SD, Li J, Wang LS. Experimental and theoretical evidence of an axially chiral borospherene. Acs Nano. 9: 754-60. PMID 25517915 DOI: 10.1021/Nn506262C  0.781
2015 Lu T, Wei H, Yang X, Li J, Wang X, Zhang T. Microemulsion-controlled synthesis of one-dimensional Ir nanowires and their catalytic activity in selective hydrogenation of o-chloronitrobenzene. Langmuir : the Acs Journal of Surfaces and Colloids. 31: 90-5. PMID 25514018 DOI: 10.1021/La5040307  0.329
2015 Wan YF, Huang ZH, Jing K, Li J, Wang Y, Xu CQ, Chen JH, Zheng YL. Azithromycin attenuates pulmonary inflammation and emphysema in smoking-induced COPD model in rats. Respiratory Care. 60: 128-34. PMID 25249648 DOI: 10.4187/respcare.03344  0.439
2015 Li J, Zhou L, Zhu Q, Li H. CO methanation over a macro–mesoporous Al2O3 supported Ni catalyst in a fluidized bed reactor Rsc Advances. 5: 64486-64494. DOI: 10.1039/C5Ra10424F  0.303
2015 Chang CR, Long B, Yang XF, Li J. Theoretical Studies on the Synergetic Effects of Au-Pd Bimetallic Catalysts in the Selective Oxidation of Methanol Journal of Physical Chemistry C. 119: 16072-16081. DOI: 10.1021/Acs.Jpcc.5B03965  0.734
2014 Liu JB, Chen X, Qiu YH, Xu CF, Schwarz WH, Li J. Theoretical studies of structure and dynamics of molten salts: the LiF-ThF4 system. The Journal of Physical Chemistry. B. 118: 13954-62. PMID 25361071 DOI: 10.1021/Jp509425P  0.774
2014 Wang G, Zhou M, Goettel JT, Schrobilgen GJ, Su J, Li J, Schlöder T, Riedel S. Identification of an iridium-containing compound with a formal oxidation state of IX. Nature. 514: 475-7. PMID 25341786 DOI: 10.1038/Nature13795  0.376
2014 Li WL, Chen Q, Tian WJ, Bai H, Zhao YF, Hu HS, Li J, Zhai HJ, Li SD, Wang LS. The B35 cluster with a double-hexagonal vacancy: a new and more flexible structural motif for borophene. Journal of the American Chemical Society. 136: 12257-60. PMID 25141029 DOI: 10.1021/Ja507235S  0.793
2014 Zhai HJ, Zhao YF, Li WL, Chen Q, Bai H, Hu HS, Piazza ZA, Tian WJ, Lu HG, Wu YB, Mu YW, Wei GF, Liu ZP, Li J, Li SD, et al. Observation of an all-boron fullerene. Nature Chemistry. 6: 727-31. PMID 25054944 DOI: 10.1038/Nchem.1999  0.805
2014 Su J, Wang Z, Pan D, Li J. Excited states and luminescent properties of UO2F2 and its solvated complexes in aqueous solution. Inorganic Chemistry. 53: 7340-50. PMID 24965096 DOI: 10.1021/Ic5006852  0.367
2014 Li WL, Zhao YF, Hu HS, Li J, Wang LS. [B₃₀]⁻: a quasiplanar chiral boron cluster. Angewandte Chemie (International Ed. in English). 53: 5540-5. PMID 24700564 DOI: 10.1002/Anie.201402488  0.789
2014 Li WL, Su J, Jian T, Lopez GV, Hu HS, Cao GJ, Li J, Wang LS. Strong electron correlation in UO2(-): a photoelectron spectroscopy and relativistic quantum chemistry study. The Journal of Chemical Physics. 140: 094306. PMID 24606360 DOI: 10.1063/1.4867278  0.658
2014 Piazza ZA, Hu HS, Li WL, Zhao YF, Li J, Wang LS. Planar hexagonal B(36) as a potential basis for extended single-atom layer boron sheets. Nature Communications. 5: 3113. PMID 24445427 DOI: 10.1038/Ncomms4113  0.795
2014 Duan H, Yan N, Yu R, Chang CR, Zhou G, Hu HS, Rong H, Niu Z, Mao J, Asakura H, Tanaka T, Dyson PJ, Li J, Li Y. Ultrathin rhodium nanosheets. Nature Communications. 5: 3093. PMID 24435210 DOI: 10.1038/Ncomms4093  0.751
2014 Hu HS, Wei F, Wang X, Andrews L, Li J. Actinide-silicon multiradical bonding: infrared spectra and electronic structures of the Si(μ-X)AnF3 (An = Th, U; X = H, F) molecules. Journal of the American Chemical Society. 136: 1427-37. PMID 24383992 DOI: 10.1021/Ja409527U  0.667
2014 Yu Y, Zhou M, Kirsch F, Xu C, Zhang L, Wang Y, Jiang Z, Wang N, Li J, Eitinger T, Yang M. Planar substrate-binding site dictates the specificity of ECF-type nickel/cobalt transporters. Cell Research. 24: 267-77. PMID 24366337 DOI: 10.1038/Cr.2013.172  0.517
2014 Liang JX, Lin J, Yang XF, Wang AQ, Qiao BT, Liu J, Zhang T, Li J. Theoretical and Experimental Investigations on Single-Atom Catalysis: Ir1/FeOx for CO Oxidation Journal of Physical Chemistry C. 118: 21945-21951. DOI: 10.1021/Jp503769D  0.38
2014 Wang Y, Yang X, Hu L, Li Y, Li J. Theoretical study of the crystal plane effect and ion-pair active center for C–H bond activation by Co3O4 nanocrystals Chinese Journal of Catalysis. 35: 462-467. DOI: 10.1016/S1872-2067(14)60043-7  0.667
2014 Li W, Zhao Y, Hu H, Li J, Wang L. Frontispiece: [B30]−: A Quasiplanar Chiral Boron Cluster Angewandte Chemie. 126. DOI: 10.1002/Ange.201482271  0.765
2013 Li WL, Hu HS, Jian T, Lopez GV, Su J, Li J, Wang LS. Probing the electronic structures of low oxidation-state uranium fluoride molecules UF(x)- (x = 2-4). The Journal of Chemical Physics. 139: 244303. PMID 24387366 DOI: 10.1063/1.4851475  0.659
2013 Huang W, Xu WH, Su J, Schwarz WH, Li J. Oxidation states, geometries, and electronic structures of plutonium tetroxide PuO4 isomers: is octavalent Pu viable? Inorganic Chemistry. 52: 14237-45. PMID 24274785 DOI: 10.1021/Ic402170Q  0.685
2013 Liu JB, Schwarz WH, Li J. On two different objectives of the concepts of ionic radii. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 14758-67. PMID 24105988 DOI: 10.1002/Chem.201300917  0.745
2013 Lin J, Wang A, Qiao B, Liu X, Yang X, Wang X, Liang J, Li J, Liu J, Zhang T. Remarkable performance of Ir1/FeO(x) single-atom catalyst in water gas shift reaction. Journal of the American Chemical Society. 135: 15314-7. PMID 24090210 DOI: 10.1021/Ja408574M  0.367
2013 Gong Y, Hu HS, Rao L, Li J, Gibson JK. Experimental and theoretical studies on the fragmentation of gas-phase uranyl-, neptunyl-, and plutonyl-diglycolamide complexes. The Journal of Physical Chemistry. A. 117: 10544-50. PMID 24015813 DOI: 10.1021/Jp4076977  0.609
2013 Su J, Xu WH, Xu CF, Schwarz WH, Li J. Theoretical studies on the photoelectron and absorption spectra of MnO4(-) and TcO4(-). Inorganic Chemistry. 52: 9867-74. PMID 23957772 DOI: 10.1021/Ic4009625  0.734
2013 Liu HT, Xiong XG, Dau PD, Wang YL, Huang DL, Li J, Wang LS. Probing the nature of gold-carbon bonding in gold-alkynyl complexes. Nature Communications. 4: 2223. PMID 23887799 DOI: 10.1038/Ncomms3223  0.735
2013 Su J, Dau PD, Xu CF, Huang DL, Liu HT, Wei F, Wang LS, Li J. A joint photoelectron spectroscopy and theoretical study on the electronic structure of UCl5- and UCl5. Chemistry, An Asian Journal. 8: 2489-96. PMID 23853153 DOI: 10.1002/Asia.201300627  0.671
2013 Wang YG, Yoon Y, Glezakou VA, Li J, Rousseau R. The role of reducible oxide-metal cluster charge transfer in catalytic processes: new insights on the catalytic mechanism of CO oxidation on Au/TiO2 from ab initio molecular dynamics. Journal of the American Chemical Society. 135: 10673-83. PMID 23782230 DOI: 10.1021/Ja402063V  0.658
2013 Su J, Dau PD, Qiu YH, Liu HT, Xu CF, Huang DL, Wang LS, Li J. Probing the electronic structure and chemical bonding in tricoordinate uranyl complexes UO2X3- (X = F, Cl, Br, I): competition between Coulomb repulsion and U-X bonding. Inorganic Chemistry. 52: 6617-26. PMID 23662677 DOI: 10.1021/Ic4006482  0.765
2013 Gong Y, Hu HS, Tian G, Rao L, Li J, Gibson JK. A tetrapositive metal ion in the gas phase: thorium(IV) coordinated by neutral tridentate ligands. Angewandte Chemie (International Ed. in English). 52: 6885-8. PMID 23650148 DOI: 10.1002/Anie.201302212  0.58
2013 Xiang G, Wang YG, Li J, Zhuang J, Wang X. Surface-specific interaction by structure-match confined pure high-energy facet of unstable TiO₂(B) polymorph. Scientific Reports. 3: 1411. PMID 23475151 DOI: 10.1038/Srep01411  0.609
2013 Zhang L, Wang G, Liu Q, Chen C, Li J, Long B, Yu H, Zhang Z, He J, Qu Z, Yu J, Liu Y, Dong T, Yao N, Wang Y, et al. Molecular analysis of Anaplasma phagocytophilum isolated from patients with febrile diseases of unknown etiology in China. Plos One. 8: e57155. PMID 23451170 DOI: 10.1371/Journal.Pone.0057155  0.454
2013 Bai H, Chen Q, Zhao YF, Wu YB, Lu HG, Li J, Li SD. B30H8, B39H9(2-), B42H10, B48H10, and B72H12: polycyclic aromatic snub hydroboron clusters analogous to polycyclic aromatic hydrocarbons. Journal of Molecular Modeling. 19: 1195-204. PMID 23160932 DOI: 10.1007/S00894-012-1640-8  0.713
2013 Wang Y, Mei D, Li J, Rousseau R. DFT+U Study on the Localized Electronic States and Their Potential Role During H2O Dissociation and CO Oxidation Processes on CeO2(111) Surface The Journal of Physical Chemistry C. 117: 23082-23089. DOI: 10.1021/Jp409953U  0.658
2013 Chang CR, Yang XF, Long B, Li J. A water-promoted mechanism of alcohol oxidation on a Au(111) surface: Understanding the catalytic behavior of bulk gold Acs Catalysis. 3: 1693-1699. DOI: 10.1021/Cs400344R  0.762
2012 Su J, Wei F, Schwarz WH, Li J. Deduction of bond length changes of symmetric molecules from experimental vibrational progressions, including a topological mass factor. The Journal of Physical Chemistry. A. 116: 12299-304. PMID 23148711 DOI: 10.1021/Jp305035Y  0.65
2012 Dau PD, Su J, Liu HT, Huang DL, Li J, Wang LS. Photoelectron spectroscopy and the electronic structure of the uranyl tetrachloride dianion: UO2C(4(2-). The Journal of Chemical Physics. 137: 064315. PMID 22897281 DOI: 10.1063/1.4742062  0.5
2012 Dau PD, Su J, Liu HT, Huang DL, Wei F, Li J, Wang LS. Photoelectron spectroscopy and theoretical studies of UF5(-) and UF6(-). The Journal of Chemical Physics. 136: 194304. PMID 22612092 DOI: 10.1063/1.4716182  0.39
2012 Xiang G, Wang YG, Wu D, Li T, He J, Li J, Wang X. Size-dependent surface activity of rutile and anatase TiO2 nanocrystals: facile surface modification and enhanced photocatalytic performance. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 4759-65. PMID 22378019 DOI: 10.1002/Chem.201102593  0.583
2012 Su J, Schwarz WH, Li J. Electronic spectra and excited states of neptunyl and its [NpO2Cl4]2- complex. Inorganic Chemistry. 51: 3231-8. PMID 22360407 DOI: 10.1021/Ic202712P  0.655
2012 Ning CG, Xiong XG, Wang YL, Li J, Wang LS. Probing the electronic structure and chemical bonding of the "staple" motifs of thiolate gold nanoparticles: Au(SCH3)2- and Au2(SCH3)3-. Physical Chemistry Chemical Physics : Pccp. 14: 9323-9. PMID 22278407 DOI: 10.1039/C2Cp23490D  0.762
2012 Zhao Y, Rousseau RJ, Li J, Mei D. Theoretical study of syngas hydrogenation to methanol on the polar Zn-terminated ZnO(0001) surface Journal of Physical Chemistry C. 116: 15952-15961. DOI: 10.1021/Jp211055S  0.329
2011 Su J, Wang YL, Wei F, Schwarz WH, Li J. Theoretical Study of the Luminescent States and Electronic Spectra of UO2Cl2 in an Argon Matrix. Journal of Chemical Theory and Computation. 7: 3293-303. PMID 26598163 DOI: 10.1021/Ct200419X  0.62
2011 Wei F, Wu GS, Schwarz WH, Li J. Excited States and Absorption Spectra of UF6: A RASPT2 Theoretical Study with Spin-Orbit Coupling. Journal of Chemical Theory and Computation. 7: 3223-31. PMID 26598158 DOI: 10.1021/ct2000233  0.559
2011 Pyykkö P, Xiong XG, Li J. Aurophilic attractions between a closed-shell molecule and a gold cluster. Faraday Discussions. 152: 169-78; discussion 2. PMID 22455044 DOI: 10.1039/C1FD00018G  0.741
2011 Su J, Zhang K, Schwarz WH, Li J. Uranyl-glycine-water complexes in solution: comprehensive computational modeling of coordination geometries, stabilization energies, and luminescence properties. Inorganic Chemistry. 50: 2082-93. PMID 21341733 DOI: 10.1021/Ic200204P  0.654
2011 Wang X, Cho HG, Andrews L, Chen M, Dixon DA, Hu HS, Li J. Matrix infrared spectroscopic and computational investigations of the lanthanide-methylene complexes CH2LnF2 with single Ln-C bonds. The Journal of Physical Chemistry. A. 115: 1913-21. PMID 21332181 DOI: 10.1021/Jp111592E  0.673
2011 Pal R, Huang W, Wang YL, Hu HS, Bulusu S, Xiong XG, Li J, Wang LS, Zeng XC. Chemisorption-induced 2D-3D-2D structural transitions in gold heptamer: (CO)nAu7- (n = 1-4) Journal of Physical Chemistry Letters. 2: 2288-2293. DOI: 10.1021/Jz201023Q  0.784
2011 Zhang P, Wang Y, Huang Y, Zhang T, Wu G, Li J. Density functional theory investigations on the catalytic mechanisms of hydrazine decompositions on Ir(111) Catalysis Today. 165: 80-88. DOI: 10.1016/J.Cattod.2011.01.012  0.657
2010 Li J, Kathmann SM, Hu HS, Schenter GK, Autrey T, Gutowski M. Theoretical investigations on the formation and dehydrogenation reaction pathways of H(NH2BH2)(n)H (n = 1-4) oligomers: importance of dihydrogen interactions. Inorganic Chemistry. 49: 7710-20. PMID 20701247 DOI: 10.1021/Ic100418A  0.607
2010 Xiao H, Hu HS, Schwarz WH, Li J. Theoretical investigations of geometry, electronic structure and stability of UO(6): octahedral uranium hexoxide and its isomers. The Journal of Physical Chemistry. A. 114: 8837-44. PMID 20572656 DOI: 10.1021/Jp102107N  0.771
2010 Wang YL, Wang XB, Xing XP, Wei F, Li J, Wang LS. Photoelectron imaging and spectroscopy of MI(2)(-) (M = Cs, Cu, Au): evolution from ionic to covalent bonding. The Journal of Physical Chemistry. A. 114: 11244-51. PMID 20459148 DOI: 10.1021/Jp103173D  0.358
2010 Yang XF, Wang YL, Zhao YF, Wang AQ, Zhang T, Li J. Adsorption-induced structural changes of gold cations from two- to three-dimensions. Physical Chemistry Chemical Physics : Pccp. 12: 3038-43. PMID 20449396 DOI: 10.1039/b921367h  0.725
2010 Wang G, Su J, Gong Y, Zhou M, Li J. Chemistry on single atoms: spontaneous hydrogen production from reactions of transition-metal atoms with methanol at cryogenic temperatures. Angewandte Chemie (International Ed. in English). 49: 1302-5. PMID 20069618 DOI: 10.1002/Anie.200906473  0.381
2010 Wang YL, Zhai HJ, Xu L, Li J, Wang LS. Vibrationally resolved photoelectron spectroscopy of di-gold carbonyl clusters Au2(CO)n- (n = 1-3): experiment and theory. The Journal of Physical Chemistry. A. 114: 1247-54. PMID 19764770 DOI: 10.1021/Jp903558V  0.363
2010 Yang X, Wang A, Wang Y, Zhang T, Li J. Unusual Selectivity of Gold Catalysts for Hydrogenation of 1,3-Butadiene toward cis-2-Butene: A Joint Experimental and Theoretical Investigation The Journal of Physical Chemistry C. 114: 3131-3139. DOI: 10.1021/Jp9107415  0.319
2009 Liu L, Zhuang Z, Xie T, Wang YG, Li J, Peng Q, Li Y. Shape control of CdSe nanocrystals with zinc blende structure. Journal of the American Chemical Society. 131: 16423-9. PMID 19902978 DOI: 10.1021/Ja903633D  0.608
2009 Yang X, Wang A, Wang X, Zhang T, Han K, Li J. Combined Experimental and Theoretical Investigation on the Selectivities of Ag, Au, and Pt Catalysts for Hydrogenation of Crotonaldehyde The Journal of Physical Chemistry C. 113: 20918-20926. DOI: 10.1021/Jp905687G  0.362
2008 Zhao Y, Su J, Gong Y, Li J, Zhou M. Noble-gas-induced disproportionation reactions: facile superoxo-to-peroxo conversion on chromium dioxide. The Journal of Physical Chemistry. A. 112: 8606-11. PMID 18729425 DOI: 10.1021/Jp804995D  0.459
2008 Lyon JT, Andrews L, Hu HS, Li J. Infrared spectra and electronic structures of agostic uranium methylidene molecules. Inorganic Chemistry. 47: 1435-42. PMID 18237123 DOI: 10.1021/Ic701786H  0.69
2008 Zhai H, Pan L, Dai B, Kiran B, Li J, Wang L. Chemisorption-induced Structural Changes and Transition from Chemisorption to Physisorption in Au6(CO)n− (n = 4−9) The Journal of Physical Chemistry C. 112: 11920-11928. DOI: 10.1021/Jp803161B  0.33
2007 Lyon JT, Hu HS, Andrews L, Li J. Formation of unprecedented actinide triple bond carbon in uranium methylidyne molecules. Proceedings of the National Academy of Sciences of the United States of America. 104: 18919-24. PMID 18024591 DOI: 10.1073/Pnas.0707035104  0.65
2007 Li J, Hu HS, Lyon JT, Andrews L. Chirality, agostic interactions, and pyramidality in actinide methylidene complexes. Angewandte Chemie (International Ed. in English). 46: 9045-9. PMID 17943937 DOI: 10.1002/Anie.200702771  0.556
2007 Lyon JT, Cho HG, Andrews L, Hu HS, Li J. Infrared and DFT investigations of the XC[triple bond]ReX3 and HC[triple bond]ReX3 complexes: Jahn-Teller distortion and the methylidyne C-X(H) stretching absorptions. Inorganic Chemistry. 46: 8728-38. PMID 17880062 DOI: 10.1021/Ic701014U  0.673
2007 Sun ZM, Xiao H, Li J, Wang LS. Pd(2)@Sn(18)(4-): fusion of two endohedral stannaspherenes. Journal of the American Chemical Society. 129: 9560-1. PMID 17630742 DOI: 10.1021/Ja0728674  0.419
2007 Zubarev DY, Boldyrev AI, Li J, Zhai HJ, Wang LS. On the chemical bonding of gold in auro-boron oxide clusters AunBO- (n = 1-3). The Journal of Physical Chemistry. A. 111: 1648-58. PMID 17298038 DOI: 10.1021/Jp0657437  0.427
2007 Zhou M, Jin X, Li J. Reactions of cerium atoms and dicerium molecules with CO: formation of cerium carbonyls and photoconversion to CO-activated insertion molecules. The Journal of Physical Chemistry. A. 110: 10206-11. PMID 16928109 DOI: 10.1021/Jp062073W  0.387
2007 Cui LF, Huang X, Wang LM, Li J, Wang LS. Pb12 2-: plumbaspherene. The Journal of Physical Chemistry. A. 110: 10169-72. PMID 16928103 DOI: 10.1021/Jp063617X  0.365
2007 Zhai HJ, Huang X, Cui LF, Li X, Li J, Wang LS. Electronic and structural evolution and chemical bonding in ditungsten oxide clusters: W2O(n)- and W2O(n) (n = 1-6). The Journal of Physical Chemistry. A. 109: 6019-30. PMID 16833938 DOI: 10.1021/Jp051496F  0.394
2007 Wang X, Andrews L, Li J. Experimental and theoretical investigations of IR spectra and electronic structures of the U(OH)2, UO2(OH), and UO2(OH)2 molecules. Inorganic Chemistry. 45: 4157-66. PMID 16676976 DOI: 10.1021/Ic052071A  0.355
2006 Zubarev DY, Li J, Wang LS, Boldyrev AI. Theoretical probing of deltahedral closo-auroboranes B(x)Au(x)2- (x = 5-12). Inorganic Chemistry. 45: 5269-71. PMID 16813385 DOI: 10.1021/Ic060615I  0.302
2006 Cui LF, Huang X, Wang LM, Zubarev DY, Boldyrev AI, Li J, Wang LS. Sn12(2-): stannaspherene. Journal of the American Chemical Society. 128: 8390-1. PMID 16802791 DOI: 10.1021/Ja062052F  0.38
2006 Zhou M, Zhao Y, Gong Y, Li J. Formation and characterization of the XeOO(+) cation in solid argon. Journal of the American Chemical Society. 128: 2504-5. PMID 16492012 DOI: 10.1021/Ja055650N  0.329
2006 Wang XB, Wang YL, Woo HK, Li J, Wu GS, Wang LS. Free tetra- and hexa-coordinated platinum-cyanide dianions, Pt (CN)42 - and Pt (CN)62 -: A combined photodetachment photoelectron spectroscopic and theoretical study Chemical Physics. 329: 230-238. DOI: 10.1016/J.Chemphys.2006.07.018  0.344
2005 Zhai HJ, Kiran B, Dai B, Li J, Wang LS. Unique CO chemisorption properties of gold hexamer: Au6(CO)n- (n = 0-3). Journal of the American Chemical Society. 127: 12098-106. PMID 16117551 DOI: 10.1021/Ja052618K  0.361
2005 Liang B, Hunt RD, Kushto GP, Andrews L, Li J, Bursten BE. Reactions of laser-ablated uranium atoms with H2O in excess argon: a matrix infrared and relativistic DFT investigation of uranium oxyhydrides. Inorganic Chemistry. 44: 2159-68. PMID 15792450 DOI: 10.1021/Ic0483951  0.498
2004 Wang X, Andrews L, Li J, Bursten BE. Significant interactions between uranium and noble-gas atoms: coordination of the UO2+ cation by Ne, Ar, Kr, and Xe atoms. Angewandte Chemie (International Ed. in English). 43: 2554-7. PMID 15127451 DOI: 10.1002/Anie.200453790  0.516
2004 Li J, Bursten BE, Andrews L, Marsden CJ. On the electronic structure of molecular UO2 in the presence of Ar atoms: evidence for direct U-Ar bonding. Journal of the American Chemical Society. 126: 3424-5. PMID 15025460 DOI: 10.1021/Ja039933W  0.547
2004 Liang B, Andrews L, Li J, Bursten BE. On the noble-gas-induced intersystem crossing for the CUO molecule: experimental and theoretical investigations of CUO(Ng)n (Ng = Ar, Kr, Xe; n = 1, 2, 3, 4) complexes in solid neon. Inorganic Chemistry. 43: 882-94. PMID 14753808 DOI: 10.1021/Ic035206Q  0.557
2003 Liang B, Andrews L, Li J, Bursten BE. Bonding of multiple noble-gas atoms to CUO in solid neon: CUO(Ng)n (Ng=Ar, Kr, Xe; n=1, 2, 3, 4) complexes and the singlet-triplet crossover point. Chemistry (Weinheim An Der Bergstrasse, Germany). 9: 4781-8. PMID 14566886 DOI: 10.1002/Chem.200304946  0.53
2003 Bursten BE, Drummond ML, Li J. Spiers memorial lecture. The quantum chemistry of d- and f-element complexes: from an approximate existence to functional happiness. Faraday Discussions. 124: 1-24; discussion 53-. PMID 14527206 DOI: 10.1039/B305317M  0.674
2003 Andrews L, Liang B, Li J, Bursten BE. Noble gas-actinide complexes of the CUO molecule with multiple Ar, Kr, and Xe atoms in noble-gas matrices. Journal of the American Chemical Society. 125: 3126-39. PMID 12617681 DOI: 10.1021/Ja027819S  0.583
2002 Liang B, Andrews L, Li J, Bursten BE. Noble gas-actinide compounds: evidence for the formation of distinct CUO(Ar)(4-n)(Xe)(n) and CUO(Ar)(4-n)(Kr)(n) (n = 1, 2, 3, 4) complexes. Journal of the American Chemical Society. 124: 9016-7. PMID 12148982 DOI: 10.1021/Ja026432M  0.549
2002 Liang B, Andrews L, Li J, Bursten BE. Experimental and theoretical studies of the products of laser-ablated thorium atom reactions with H2O in excess argon. Journal of the American Chemical Society. 124: 6723-33. PMID 12047192 DOI: 10.1021/Ja012593Z  0.542
2002 Li J, Bursten BE, Liang B, Andrews L. Noble gas-actinide compounds: complexation of the CUO molecule by Ar, Kr, and Xe atoms in noble gas matrices. Science (New York, N.Y.). 295: 2242-5. PMID 11872801 DOI: 10.1126/Science.1069342  0.511
2000 Andrews L, Liang B, Li J, Bursten BE. Ground-State Reversal by Matrix Interaction: Electronic States and Vibrational Frequencies of CUO in Solid Argon and Neon This work was supported by the National Science Foundation (CHE 97-00116), the US Department of Energy (DE-FG02-86ER13519), and the Los Alamos National Laboratory, and by grants of computer time from the Ohio Supercomputer Center and the Pacific Northwest National Laboratory. Angewandte Chemie (International Ed. in English). 39: 4565-4567. PMID 11169671 DOI: 10.1002/1521-3773(20001215)39:24<4565::Aid-Anie4565>3.0.Co;2-R  0.54
1999 Zhou M, Andrews L, Li J, Bursten BE. Reactions of Th atoms with CO: The first thorium carbonyl complex and an unprecedented bent triplet insertion product [3] Journal of the American Chemical Society. 121: 12188-12189. DOI: 10.1021/Ja993300T  0.576
1999 Li J, Bursten BE. Bis(arene) actinide sandwich complexes, (η6-C6H3R3)2An: Linear or bent? [17] Journal of the American Chemical Society. 121: 10243-10244. DOI: 10.1021/Ja9923991  0.536
1999 Zhou M, Andrews L, Li J, Bursten BE. Reaction of laser-ablated uranium atoms with CO: Infrared spectra of the CUO, CUO-, OUCCO, (η2-C2)UO2, and U(CO)(x) (x = 1-6) molecules in solid neon Journal of the American Chemical Society. 121: 9712-9721. DOI: 10.1021/Ja9921322  0.557
1998 Li J, Bursten BE. Relativistic density functional study of the geometry, electronic transitions, ionization energies, and vibrational frequencies of protactinocene, Pa(η8-C8H8)2 Journal of the American Chemical Society. 120: 11456-11466. DOI: 10.1021/Ja9821145  0.547
1997 Li J, Bursten BE. Electronic structure of cycloheptatrienyl sandwich compounds of actinides: An(η7-C7H7)2 (An = Th, Pa, U, Np, Pu, Am) Journal of the American Chemical Society. 119: 9021-9032. DOI: 10.1021/Ja971149M  0.573
1996 Li J, Irle S, Schwarz WH. Electronic Structure and Properties of Trihalogen Cations X(3)(+) and XY(2)(+) (X, Y = F, Cl, Br, I). Inorganic Chemistry. 35: 100-109. PMID 11666170 DOI: 10.1021/ic950305s  0.582
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