近期论文
Pan Qing-Jiang, Odoh Samuel O., Asaduzzaman Abu Md., Schreckenbach Georg “Adsorption of Uranyl Species onto the Rutile (110) Surface: A Periodic Density Functional Theory Study” Chemistry: A European Journal 2012, 18(5), 1458-1466.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 Functional Study” Physical Chemistry Chemical Physics 2011, 13(32), 14481-14489. Pan Qing-Jiang, Schreckenbach Georg, Arnold Polly L., Love Jason B. “Theoretical predictions of cofacial bis(actinyl) complexes of a stretched Schiff-base calixpyrrole ligand” Chemical Communications 2011, 47(20), 5720-5722.Pan Qing-Jiang, Shamov Grigory A., Schreckenbach Georg “Binuclear Uranium (VI) Complexes with a “Pacman” Expanded Porphyrin: Computational Evidence for Highly Unusual Bis-Actinyl Structures” Chemistry: A European Journal 2010, 16(7), 2282-2290. Pan Qing-Jiang, Schreckenbach Georg “Binuclear Hexa- and Pentavalent Uranium Complexes with a Polypyrrolic Ligand: A Density Functional Study of Water- and Hydronium-Induced Reactions” Inorganic Chemistry 2010, 49(14), 6509-6517. Pan Qing-Jiang, Guo Yuan-Ru, Zhang Hong-Xing “Theoretical Study of Metallophilic Interactions and Excited States of Heterobimetallic d10-d8 Complexes with Bridging Ligands: the Tuning of Electronic Spectroscopy” Organometallics 2010, 29(15), 3261-3270. Pan Qing-Jiang, Zhou Xin, Guo Yuan-Ru, Fu Hong-Gang, Zhang Hong-Xing “Theoretical Studies on Metal-metal Interaction, Excited States, and Spectroscopic Properties of Binuclear Au-Au, Au-Rh, and Rh-Rh Complexes with Diphosphine Ligands: Buildup of Complexity from Monomers to Dimers” Inorganic Chemistry 2009, 48(7), 2844-2854.Pan Qing-Jiang, Zhou Xin, Fu Hong-Gang, Zhang Hong-Xing “Isovalent Gold(I), -(II), and -(III) and Mixed-Valent Gold(I)/Gold(III) Phosphorus Ylide Complexes. Combined ab Initio and Density Functional Study of Electronic Structures and Spectroscopic Properties” Organometallics 2008, 27(11), 2474-2482.Pan Qing-Jiang, Zhou Xin, Zhang Hong-Xing, Fu Hong-Gang “A theoretical probe on the ground- and excited-state properties of heterobinuclear Au-Pt complex with phosphine ligands. Comparison with analogous homobinuclear Au-Au and Pt-Pt complexes” Chemical Physics Letters 2008, 453(1-3), 7-12.Pan Qing-Jiang, Zhang Hong-Xing, Zhou Xin, Fu Hong-Gang, Yu Hai-Tao “Electronic Structures and Spectroscopic Properties of Mono- and Binuclear d8 Complexes: a Theoretical Exploration on Promising Phosphorescent Materials” Journal of Physical Chemistry A 2007, 111(2), 287-294.Pan Qing-Jiang, Zhou Xin, Zhang Hong-Xing, Fu Hong-Gang “Theoretical studies on spectroscopic properties of binuclear palladium(II) halide with phosphine ligands” Journal of Photochemistry and Photobiology A: Chemistry 2007, 188(2-3), 287-292.Pan Qing-Jiang, Zhou Xin, Yu Hai-Tao, Zhang Hong-Xing, Fu Hong-Gang “Structures and electronic spectra of [Pt2(P2O5H2)4X2]4- (X = Cl, Br and I): a comparative study of ab initio and density functional theory” Inorganic Chemistry Communications 2007, 10(2), 183-186.Pan Qing-Jiang, Fu Hong-Gang, Yu Hai-Tao, Zhang Hong-Xing “A Theoretical Insight Into Electronic Structures and Spectroscopic Properties of [Pt2(pop)4]4-, [Pt2(pcp)4]4- and Related Derivatives (pop = P2O5H22- and pcp = P2O4CH42-)” Inorganic Chemistry 2006, 45(21), 8729-8735.Pan Qing-Jiang, Zhang Hong-Xing, Fu Hong-Gang, Yu Hai-Tao “Theoretical Studies on Metal-Metal Interaction and Intrinsic 1,3[σ*(d)σ(s/p)] Excited States of Binuclear d10 Complexes with Bridging Phosphine Ligands” European Journal of Inorganic Chemistry 2006, (5), 1050-1059.Pan Qing-Jiang, Fu Hong-Gang, Yu Hai-Tao, Zhang Hong-Xing “Substituent effect on the structure and luminescence of binuclear Au(I) complexes: An ab initio study” Chemical Physics Letters 2006, 426(4-6), 257-262.Pan Qing-Jiang, Fu Hong-Gang, Yu Hai-Tao, Zhang Hong-Xing “Spectroscopic Properties of Mono- and Binuclear Platinum(II) Alkynyl Complexes with Phosphine Ligands: A Theoretical Study” Inorganica Chimica Acta 2006, 359(10), 3306-3314.Pan Qing-Jiang, Zhang Hong-Xing “An ab Initio Study on Luminescent Properties and Aurophilic Attraction of Binuclear Gold(I) Complexes with Phosphinothioether Ligands” Inorganic Chemistry 2004, 43(2), 593-601.Pan Qing-Jiang, Zhang Hong-Xing “Ab Initio Study on Luminescent Properties and Aurophilic Attraction of [Au2(dpm)(i-mnt)] and Its Related Au(I) Complexes (dpm = bis(diphosphino)methane and i-mnt = i-malononitriledithiolate)” Organometallics 2004, 23(22), 5198-5209.Pan Qing-Jiang, Zhang Hong-Xing “Ab Initio Studies on Metal-Metal Interaction and 3[σ*(d)σ(s)] Excited State of the Binuclear Au(I) Complexes Formed by Phosphine and/or Thioether Ligands” Journal of Physical Chemistry A 2004, 108(16), 3650-3661.Pan Qing-Jiang, Zhang Hong-Xing “Theoretical studies on metal-metal interaction and σ*(d)→σ(p) transition in binuclear platinum(II) complex, trans-[Pt2II(CN)4(PH2CH2PH2)2]” Chemical Physics Letters 2004, 394, 155-160.
