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1. Jun
, Xiu-Jun Zheng, Qing-Jiang Pan*, and Georg Schreckenbach*. ¡°HighlyValence-Diversified Binuclear Uranium Complexes of a Schiff-Base PolypyrrolicMacrocycle: Prediction of Unusual Structures, Electronic Properties, andFormation Reactions¡± Inorg. Chem.2015, 54 (11), 5438-5449.
2. Jun-Feng Liu, Xue Min, Jin-YuLv, Fu-Xing Pan, Qing-Jiang Pan,*and Zhong-Ming Sun*. ¡°Ligand-ControlledSyntheses of Copper(I) Complexes with Metal?Metal Interactions: CrystalStructure and Relativistic Density Functional Theory Investigation¡± Inorg. Chem.2014,53(20), 11068-11074.
3. Chun-MeiLv, Ling-Chao Pan, Qing-Jiang Pan,*Yuan-Ru Guo,* and Hong-Xing Zhang. ¡°Theoreticaldesign of cis-bis(imido) uranium iodides: electronic structure andspectroscopic property¡±Eur. J. Inorg. Chem. 2014, 5168-5176.
4. Ming-Jing Zhang, Jin-Yu Lv, Qing-Jiang Pan,* and Yuan-RuGuo*. ¡°Electronic, photophysical andredox properties of tetrapyrrolic ruthenium(II) isothiocyanato complexes andtheir carboxylic anchors¡¯ effect: an implication for dye-sensitized solar cells¡±Theor.Chem. Acc. 2014, 133, 1582.
5. Hong-Fen Zuo, Yuan-Ru Guo*,Shu-Jun Li, Qing-Jiang Pan*. ¡°Application of Microcrystalline cellulose tofabricate ZnO with enhanced photocatalytic activity¡± J. Alloys Comp. 2014, 617,823-827.
6. Jun , Yong-MingWang, Qing-Jiang Pan*,Yuan-Ru Guo*, Hong-Xing Zhang. ¡°Structural/electronicproperties and reaction energies of a series of mono- and bis-uranyl dihalidesequatorially coordinated by N/O ligands¡± J. Mol. Mod. 2014, 20(6),2305.
7. Pan Qing-Jiang,* Wang Yong-Ming,Wang Run-Xue, Wu Hong-Yue, Yang Weiting, Sun Zhong-Ming,* Zhang Hong-Xing ¡°Bisactinyl halogenated complexes:relativistic density functional theory calculation and experimental synthesis¡±RSC Advances 2013,3(5), 1572-1582.
8. Yuan-RuGuo, Qian Wu, Samuel O. Odoh, Georg Schreckenbach, Qing-Jiang Pan*. ¡°ARelativistic Density Functional Study on Structural, Spectroscopic and ReactionProperties of trans-bis(imido) Uranium(VI) Complexes with Various Substituents¡±Inorg. Chem. 2013, 52(15), 9143-9152.
9. Yuan-Ru Guo, Xing-Rui Li,Ming-Jing Zhang, Qing-Jiang Pan*,Zhong-Ming Sun*. ¡°Theoretical Studies onStructural and Spectroscopic Properties of Iminocoumarin-based Probe and itsMetal Complexation: An Implication for Fluorescence Probe¡± DaltonTrans. 2013, 42(36), 13004-13013.
10. Ting-TingMiao, Yuan-Ru Guo*, Qing-Jiang Pan*.¡°The SL-assisted synthesis of hierarchical ZnOnanostructures and their enhanced photocatalytic activity¡± J. Nanopart. Res. 2013, 15(6),1725.
11. GuoYuan-Ru, Zhou Xin, Pan Qing-Jiang*.¡°Relativistic theoretical studies of hydrogen bond and electronic structure ofaqueous solvated bis(uranyl) complex: an insight into explicit and/or implicitsolvent effects¡± J. Mol. Mod. 2013, 19(8), 3325-3332.
12. Jie Chen, Jian Wang, Fu-QuanBai, Li Hao, Qing-Jiang Pan*,Hong-Xing Zhang*. ¡°Connection style andspectroscopic properties: Theoretical understanding of the interface between N749and TiO DSSCs¡±DyesPigments 2013, 99, 201-208.
13. YangWeiting, Tian Tao, Wu Hong-Yue, PanQing-Jiang,* Dang Song, and Sun Zhong-Ming* ¡°Syntheses and Structures of a Series of Uranyl Phosphonates andSulfonates: An Insight into Their Correlations and Discrepancies¡± Inorg. Chem.2013, 52(5), 2736-2743.
14. Guo Yuan-Ru*, Yu Fang-Dan, FangGui-Zhen, Pan Qing-Jiang* ¡°Synthesis, structural characterization andphotoluminescent properties of mesoporous ZnO by direct precipitation withlignin-phosphate quaternary ammonium salt Journal alloys and compounds¡± J.Alloys Comp. 2013, 552, 70-75.
15. PanQing-Jiang*,Odoh Samuel O., Schreckenbach Georg*, ArnoldPolly L., Love Jason B. ¡°Theoretical exploration of uranyl complexes of a designed polypyrrolicmacrocycle: Structure/property effects of hinge size on Pacman-shaped complexes¡±DaltonTrans. 2012, 41(29), 8878-8885.
16. Pan Qing-Jiang, Odoh Samuel O.,Asaduzzaman Abu Md., Schreckenbach Georg ¡°Adsorptionof Uranyl Species onto the Rutile (110) Surface: A Periodic Density FunctionalTheory Study¡± Chem. Eur. J. 2012, 18(5), 1458-1466.
17. Chen Jie, Bai Fu-Quan, Wang Jian, Hao Li, Xie Zai-Feng, Pan Qing-Jiang*, ZhangHong-Xing* ¡°Theoretical studies onspectroscopic properties of ruthenium sensitizers absorbed to TiO2film surface with connection mode for DSSC¡± Dyes Pigments 2012, 94(3),459-468.
18. Pan Qing-Jiang, Guo Yuan-Ru, Li Li,Fu Hong-Gang, and Zhang Hong-Xing ¡°Structures,Spectroscopic Properties and Redox Potentials of Quaterpyridyl Ru(II)Photosensitizer and its Derivatives for Solar Energy Cell: A Density FunctionalStudy¡± Phys. Chem. Chem. Phys. 2011, 13(32), 14481-14489.
19. Pan Qing-Jiang, Schreckenbach Georg,Arnold Polly L., Love Jason B. ¡°Theoreticalpredictions of cofacial bis(actinyl) complexes of a stretched Schiff-basecalixpyrrole ligand¡± Chem. Commun. 2011, 47(20), 5720-5722.
20. Gao Xiao-Qin, Pan Qing-Jiang*, Li Li, GuoYuan-Ru, Zhang Hong-Xing, Fu Hong-Gang ¡°Structuresand Spectroscopic Properties of Ruthenium Phenanthroline Solar-CellSensitizers: A Computational Study¡± Chem. Phys. Lett. 2011, 506(4-6), 146-151.
21. Pan Qing-Jiang, Shamov Grigory A.,Schreckenbach Georg ¡°Binuclear Uranium(VI) Complexes with a ¡°Pacman¡± Expanded Porphyrin: Computational Evidence forHighly Unusual Bis-Actinyl Structures¡± Chem. Eur. J. 2010, 16(7),2282-2290.
22. Pan Qing-Jiang, Schreckenbach Georg¡°Binuclear Hexa- and Pentavalent UraniumComplexes with a Polypyrrolic Ligand: A Density Functional Study of Water- andHydronium-Induced Reactions¡± Inorg. Chem. 2010, 49(14),6509-6517.
23. Pan Qing-Jiang*, Guo Yuan-Ru, Zhang Hong-Xing* ¡°TheoreticalStudy of Metallophilic Interactions and of Heterobimetallic d10-d8 Complexes with BridgingLigands: the Tuning of Electronic Spectroscopy¡± Organometallics 2010,29(15), 3261-3270.
24. Pan Qing-Jiang, Zhou Xin, GuoYuan-Ru, Fu Hong-Gang, Zhang Hong-Xing ¡°TheoreticalStudies on Metal-metal Interaction, Excited States, and SpectroscopicProperties of Binuclear Au-Au, Au-Rh, and Rh-Rh Complexes with DiphosphineLigands: Buildup of Complexity from Monomers to Dimers¡± Inorg.Chem. 2009, 48(7), 2844-2854.
25. Pan Qing-Jiang, Zhou Xin, FuHong-Gang, Zhang Hong-Xing ¡°Isovalent Gold(I),-(II), and -(III) and Mixed-Valent Gold(I)/Gold(III) Phosphorus YlideComplexes. Combined ab Initio and Density Functional Study of ElectronicStructures and Spectroscopic Properties¡± Organometallics 2008,27(11), 2474-2482.
26. Pan Qing-Jiang, Zhang Hong-Xing, ZhouXin, Fu Hong-Gang, Yu Hai-Tao ¡°ElectronicStructures and Spectroscopic Properties of Mono- and Binuclear d8 Complexes: aTheoretical Exploration on Promising Phosphorescent Materials¡± J.Phys. Chem. A 2007, 111(2), 287-294.
27. Pan Qing-Jiang, Fu Hong-Gang, YuHai-Tao, Zhang Hong-Xing ¡°A TheoreticalInsight Into Electronic Structures and Spectroscopic Properties of [Pt2(pop)4]4-,[Pt2(pcp)4]4- and Related Derivatives (pop = P2O5H22-and pcp = P2O4CH42-)¡± Inorg.Chem. 2006, 45(21), 8729-8735.
28. Pan Qing-Jiang, Zhang Hong-Xing ¡°An ab Initio Study on Luminescent Propertiesand Aurophilic Attraction of Binuclear Gold(I) Complexes withPhosphinothioether Ligands¡± Inorg. Chem. 2004, 43(2), 593-601.
29. Pan Qing-Jiang, Zhang Hong-Xing ¡°Ab Initio Study on Luminescent Propertiesand Aurophilic Attraction of [Au2(dpm)(i-mnt)] and Its Related Au(I)Complexes (dpm = bis(diphosphino)methane and i-mnt = i-malononitriledithiolate)¡±Organometallics2004, 23(22), 5198-5209.
30. Pan Qing-Jiang, Zhang Hong-Xing ¡°Aurophilic attraction and excited-stateproperties of binuclear Au(I) complexes with bridging phosphine and/or thiolateligands: An ab initio study¡± J. Chem. Phys. 2003, 119(8), 4346-4352.
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