Pan QJ - Search Results

1

DFT/TD-DFT investigation on Ir(III) complexes with N-heterocyclic carbene ligands: geometries, electronic structures, absorption, and phosphorescence properties.

Liu T, Xia BH, Zheng QC, Zhou X, Pan QJ, Zhang HX. Liu T, et al. Among authors: pan qj. J Comput Chem. 2010 Feb;31(3):628-38. doi: 10.1002/jcc.21360. J Comput Chem. 2010. PMID: 19551885

2

An ab initio study on luminescent properties and aurophilic attraction of binuclear gold(I) complexes with phosphinothioether ligands.

Pan QJ, Zhang HX. Pan QJ, et al. Inorg Chem. 2004 Jan 26;43(2):593-601. doi: 10.1021/ic0300159. Inorg Chem. 2004. PMID: 14731021

3

Metallophilic attractions between d8-d10 heterometallic compounds trans-[Pt(PH3)2(CN)2] and M(PH3)2+ (M=Ag or Cu): Ab initio study.

Xia BH, Zhang HX, Jiao YQ, Pan QJ, Li ZS, Sun CC. Xia BH, et al. Among authors: pan qj. J Chem Phys. 2004 Jun 22;120(24):11487-92. doi: 10.1063/1.1753563. J Chem Phys. 2004. PMID: 15268183

4

Strong electronic couplings between ferrocenyl centers mediated by bis-ethynyl/butadiynyl diruthenium bridges.

Xu GL, Crutchley RJ, DeRosa MC, Pan QJ, Zhang HX, Wang X, Ren T. Xu GL, et al. Among authors: pan qj. J Am Chem Soc. 2005 Sep 28;127(38):13354-63. doi: 10.1021/ja0534452. J Am Chem Soc. 2005. PMID: 16173769

5

Electronic structures and spectroscopic properties of nitrido-osmium(VI) complexes with acetylide ligands [OsN(C[Triple Bond]CR)4]- R=H, CH3, and Ph by density functional theory calculation.

Zhang YH, Xia BH, Pan QJ, Zhang HX. Zhang YH, et al. Among authors: pan qj. J Chem Phys. 2006 Apr 14;124(14):144309. doi: 10.1063/1.2189220. J Chem Phys. 2006. PMID: 16626198

6

Theoretical studies of the spectroscopic properties of [Pt(trpy)C[triple bond]CR]+ (trpy = 2,2',6',2"-terpyridine; R = H, CH2OH, and C6H5).

Zhou X, Zhang HX, Pan QJ, Xia BH, Tang AC. Zhou X, et al. Among authors: pan qj. J Phys Chem A. 2005 Oct 6;109(39):8809-18. doi: 10.1021/jp0503359. J Phys Chem A. 2005. PMID: 16834284

7

Theoretical insight into electronic structures and spectroscopic properties of [Pt2(pop)4]4-, [Pt2(pcp)4]4-, and related derivatives (pop = P2O5H2(2-) and pcp = P2O4CH4(2-)).

Pan QJ, Fu HG, Yu HT, Zhang HX. Pan QJ, et al. Inorg Chem. 2006 Oct 16;45(21):8729-35. doi: 10.1021/ic060336v. Inorg Chem. 2006. PMID: 17029384

8

Electronic structures and spectroscopic properties of mono- and binuclear d(8) complexes: a theoretical exploration on promising phosphorescent materials.

Pan QJ, Zhang HX, Zhou X, Fu HG, Yu HT. Pan QJ, et al. J Phys Chem A. 2007 Jan 18;111(2):287-94. doi: 10.1021/jp065183b. J Phys Chem A. 2007. PMID: 17214466

9

DFT and TD-DFT calculations on the electronic structures and spectroscopic properties of cyclometalated platinum(II) complexes.

Zhou X, Pan QJ, Xia BH, Li MX, Zhang HX, Tung AC. Zhou X, et al. Among authors: pan qj. J Phys Chem A. 2007 Jun 28;111(25):5465-72. doi: 10.1021/jp064044r. Epub 2007 Jun 5. J Phys Chem A. 2007. PMID: 17547374

10

Theoretical studies on structures and spectroscopic properties of photoelectrochemical cell ruthenium sensitizers, [Ru(Hmtcterpy)(NCS)3]n- (m = 0, 1, 2, and 3; n = 4, 3, 2, and 1).

Li MX, Zhou X, Xia BH, Zhang HX, Pan QJ, Liu T, Fu HG, Sun CC. Li MX, et al. Among authors: pan qj. Inorg Chem. 2008 Apr 7;47(7):2312-24. doi: 10.1021/ic070139b. Epub 2008 Feb 27. Inorg Chem. 2008. PMID: 18311890

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