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684 related items for PubMed ID: 16539431

  • 1. Geometries and electronic properties of the neutral and charged rare earth Yb-doped Si(n) (n = 1-6) clusters: a relativistic density functional investigation.
    Zhao RN, Ren ZY, Guo P, Bai JT, Zhang CH, Han JG.
    J Phys Chem A; 2006 Mar 23; 110(11):4071-9. PubMed ID: 16539431
    [Abstract] [Full Text] [Related]

  • 2. Relativistic computational investigation: the geometries and electronic properties of TaSi(n)+ (n = 1-13, 16) clusters.
    Guo P, Ren ZY, Yang AP, Han JG, Bian J, Wang GH.
    J Phys Chem A; 2006 Jun 15; 110(23):7453-60. PubMed ID: 16759135
    [Abstract] [Full Text] [Related]

  • 3. Structural and electronic properties of TaSi(n) (n=1-13) clusters: a relativistic density functional investigation.
    Guo P, Ren ZY, Wang F, Bian J, Han JG, Wang GH.
    J Chem Phys; 2004 Dec 22; 121(24):12265-75. PubMed ID: 15606244
    [Abstract] [Full Text] [Related]

  • 4. Computational investigation of TiSin (n=2-15) clusters by the density-functional theory.
    Guo LJ, Liu X, Zhao GF, Luo YH.
    J Chem Phys; 2007 Jun 21; 126(23):234704. PubMed ID: 17600432
    [Abstract] [Full Text] [Related]

  • 5. A computational investigation of copper-doped germanium and germanium clusters by the density-functional theory.
    Wang J, Han JG.
    J Chem Phys; 2005 Dec 22; 123(24):244303. PubMed ID: 16396533
    [Abstract] [Full Text] [Related]

  • 6. Geometries and magnetisms of the Zr(n) (n=2-8) clusters: the density functional investigations.
    Wang CC, Zhao RN, Han JG.
    J Chem Phys; 2006 May 21; 124(19):194301. PubMed ID: 16729808
    [Abstract] [Full Text] [Related]

  • 7. Geometries and electronic properties of the tungsten-doped germanium clusters: WGen (n = 1-17).
    Wang J, Han JG.
    J Phys Chem A; 2006 Nov 23; 110(46):12670-7. PubMed ID: 17107119
    [Abstract] [Full Text] [Related]

  • 8. Geometries, stabilities, and growth patterns of the bimetal Mo2-doped Sin (n=9-16) clusters: a density functional investigation.
    Han JG, Zhao RN, Duan Y.
    J Phys Chem A; 2007 Mar 22; 111(11):2148-55. PubMed ID: 17388263
    [Abstract] [Full Text] [Related]

  • 9. Geometries, stabilities, and electronic properties of different-sized ZrSi(n) (n=1-16) clusters: a density-functional investigation.
    Wang J, Han JG.
    J Chem Phys; 2005 Aug 08; 123(6):64306. PubMed ID: 16122307
    [Abstract] [Full Text] [Related]

  • 10. Geometries, stabilities, and electronic properties of small anion Mg-doped gold clusters: a density functional theory study.
    Li YF, Kuang XY, Wang SJ, Zhao YR.
    J Phys Chem A; 2010 Nov 04; 114(43):11691-8. PubMed ID: 20936875
    [Abstract] [Full Text] [Related]

  • 11. Structural and electronic properties of Si n, Si n+, and AlSi n-1 (n=2-13) clusters: theoretical investigation based on ab initio molecular orbital theory.
    Nigam S, Majumder C, Kulshreshtha SK.
    J Chem Phys; 2004 Oct 22; 121(16):7756-63. PubMed ID: 15485237
    [Abstract] [Full Text] [Related]

  • 12. Does the incoming oxygen atom influence the geometries and the electronic and magnetic structures of Co(n) clusters?
    Liu L, Zhao RN, Han JG, Liu FY, Pan GQ, Sheng LS.
    J Phys Chem A; 2009 Jan 08; 113(1):360-6. PubMed ID: 19072072
    [Abstract] [Full Text] [Related]

  • 13. Geometries and stabilities of Ag-doped Si n (n=1-13) clusters: a first-principles study.
    Chuang FC, Hsieh YY, Hsu CC, Albao MA.
    J Chem Phys; 2007 Oct 14; 127(14):144313. PubMed ID: 17935401
    [Abstract] [Full Text] [Related]

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  • 15. A density functional study of YnAl (n=1-14) clusters.
    Zhao GF, Zhang J, Jing Q, Luo YH, Wang YX.
    J Chem Phys; 2007 Dec 21; 127(23):234312. PubMed ID: 18154387
    [Abstract] [Full Text] [Related]

  • 16. Determination of structures, stabilities, and electronic properties for bimetallic cesium-doped gold clusters: a density functional theory study.
    Cheng L, Xiao-Yu K, Zhi-Wen L, Ai-Jie M, Yan-Ming M.
    J Phys Chem A; 2011 Aug 25; 115(33):9273-81. PubMed ID: 21780834
    [Abstract] [Full Text] [Related]

  • 17. Geometries and stabilities of the carbon clusters with the rhodium impurity: a computational investigation.
    Jia LC, Zhao RN, Han JG, Sheng LS, Cai WP.
    J Phys Chem A; 2008 May 08; 112(18):4375-81. PubMed ID: 18393542
    [Abstract] [Full Text] [Related]

  • 18. Chromium-doped germanium clusters CrGen (n = 1-5): geometry, electronic structure, and topology of chemical bonding.
    Hou XJ, Gopakumar G, Lievens P, Nguyen MT.
    J Phys Chem A; 2007 Dec 27; 111(51):13544-53. PubMed ID: 18052141
    [Abstract] [Full Text] [Related]

  • 19. Atomic and electronic structures of neutral and charged Pbn clusters (n=2-15): theoretical investigation based on density functional theory.
    Rajesh C, Majumder C.
    J Chem Phys; 2007 Jun 28; 126(24):244704. PubMed ID: 17614574
    [Abstract] [Full Text] [Related]

  • 20. Geometries, stabilities, and vibrational properties of bimetallic Mo2-doped Gen (n = 9-15) clusters: a density functional investigation.
    Wang J, Han JG.
    J Phys Chem A; 2008 Apr 10; 112(14):3224-30. PubMed ID: 18318516
    [Abstract] [Full Text] [Related]

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