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21) 李隽, 用计算机模拟化学反应, 科学画报 2013, 11, 22-23.
20) 中国科学院, 《中国学科发展战略：放射化学》 第五章：理论放射化学, 科学出版社 2013.
19) W.-L. Li, H.-S. Hu, T. Jian, G. V. Lopez, J. Su, J. Li, L.-S. Wang, "Probing the Electronic Structure of Low Oxidation-State Uranium Fluoride Molecules UFx– (x=2-4)", J. Chem. Phys. 2013, 139(24), 244303, DOI:10.1063/1.4851475
18) W. Huang, W.-H. Xu, J. Su, W. H. E. Schwarz, J. Li, "Oxidation States, Geometries, and Electronic Structures of Plutonium Tetroxide PuO4 Isomers: Is Octavalent Pu Viable?", Inorg. Chem. 2013, 52(24), 14237-14245, DOI:10.1021/ic402170q
17) Y.-G. Wang, D. Mei, J. Li, R. Rousseau, " DFT+U Study on the Localized Electronic States and Their Potential Role During H2O Dissociation and CO Oxidation Processes on CeO2(111) Surface", J. Phys. Chem. C 2013, 117(44), 23082-23089, DOI:10.1021/jp409953u
16) C. Xu, J. Su, X. Xu, J. Li, "Theoretical Studies on the Complexation of Uranyl with Typical Carboxylate and Amidoximate Ligands", Sci. China-Chem. 2013, 56(11), 1525-1532, DOI:10.1007/s11426-013-4994-6
15) J. Lin, A. Wang, B. Qiao, X. Liu, X. Yang, X. Wang, J. Liang, J. Li, J. Liu, T. Zhang, "Remarkable Performance of Ir1/FeOx Single-Atom Catalyst in Water Gas Shift Reaction", J. Am. Chem. Soc. 2013, 135(41), 15314-15317, DOI:10.1021/ja408574m
14) J.-B. Liu, W. H. E. Schwarz, J. Li, "On Two Different Objectives of the Concepts of Lonic Radii", Chem-Eur. J. 2013, 19(44), 14758-14767, DOI:10.1002/chem.201300917. ("Hottest articles in Physical Chemistry" by Wiley-VCH)
13) X.-G. Xiong, W.-H. Xu, J. Li, P. Pyykko, "Aspects of Bonding in Small Gold Clusters", Int. J. Mass. Spectrom. 2013, 354-355, 15-18, DOI:10.1016/j.ijms.2013.08.006
12) Y. Gong, H.-S.Hu, L. Rao, J. Li, J. K. Gibson, "Experimental and Theoretical Studies on the Fragmentation of Gas-Phase Uranyl-, Neptunyl-, and Plutonyl-Diglycolamide Complexes", J. Phys. Chem. A 2013, 117(40), 10544-10550, DOI:10.1021/jp4076977
11) Y. Li, J. Su, E. Mitchell, G. Zhang, J. Li, "Photocatalysis with Visible-Light-Active Uranyl Complexes", Sci. China-Chem. 2013, 56(12), 1671-1681, DOI:10.1007/s11426-013-4965-y
10) J. Su, W.-H Xu, C.-F. Xu, W. H. E. Schwarz, J. Li, "Theoretical Studies on the Photoelectron and Absorption Spectra of MnO4– and TcO4–", Inorg. Chem. 2013, 52(17), 9867-9874, DOI:0.1021/ic4009625
9) H.-T. Liu, X.-G. Xiong, P. D. Dau, Y.-L. Wang, D.-L. Huang, J. Li, L.-S. Wang, "Probing the Nature of Gold-Carbon Bonding in Gold-Alkynyl Complexes", Nature Commun. 2013, 4, 2201, DOI:10.1038/ncomms3223
8) J. Su, P.D. Dau, C.-F. Xu, D.-L. Huang, H.-T. Liu, F. Wei, L.-S. Wang, J. Li, "A Joint Photoelectron Spectroscopy and Theoretical Study on the Electronic Structure of UCl5– and UCl5", Chem-Asian J. 2013, 8(10), 2489-2496,DOI:10.1002/asia.201300627
7) C.-R. Chang, X.-F. Yang, B. Long, J. Li, "A Water-Promoted Mechanism of Alcohol Oxidation on a Au (111) Surface: Understanding the Catalytic Behavior of Bulk Gold", ACS. Catal. 2013, 3(8), 1693-1699, DOI:10.1021/cs400344r
6) X.-F. Yang, A. Wang, B. Qiao, J. Li, J. Liu, T. Zhang, "Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis", Accounts Chem. Res. 2013, 46(8), 1740-1748, DOI:10.1021/ar300361m
5) Y.-G. Wang, Y. Yoon, V.-A. Glezakou, J. Li, R. Rousseau, "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", J. Am. Chem. Soc. 2013, 135(29), 10673-10683, DOI:10.1021/ja402063v
4) J. Su, P. D. Dau,
Y.-H. Qiu, H.-T. Liu, C.-F. Xu, D.-L. Huang, L.-S.
Wang, J. Li, "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", Inorg. Chem. 2013, 52(11), 6617-6626, DOI:10.1021/ic4006482
3) Y. Gong, H.-S. Hu, G. Tian, L. Rao, J. Li, J. K. Gibson, "A Tetrapositive Metal Ion in the Gas Phase: Thorium(IV) Coordinated by Neutral Tridentate Ligands", Angew. Chem. Int. Ed. 2013, 52(27), 6885-6888, DOI:10.1002/anie.201302212
2) G. Xiang, Y.-G. Wang, J. Li, J. Zhuang, X. Wang, " Surface-Specific Interaction by Structure-Match Confined Pure High-Energy Facet of Unstable TiO2(B) Polymorph", Scientific Reports 2013, 3, 1411, DOI:10.1038/srep01411
1) H. Bai, Q. Chen, Y.-F. Zhao, Y.-B. Wu, H.-G. Lu, J. Li, S.-D. Li, "B30H8, B39H92-, B42H10, B48H10, and B72H12: Polycyclic Aromatic Snub Hydroboron Clusters Analogous to Polycyclic Aromatic Hydrocarbons", J. Mol. Model. 2013, 19(3), 1195–1204, DOI:10.1007/s00894-012-1640-8 |
