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627 related items for PubMed ID: 18052141

  • 1. 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]

  • 2. Experimental detection and theoretical characterization of germanium-doped lithium clusters Li(n)Ge (n = 1-7).
    Ngan VT, De Haeck J, Le HT, Gopakumar G, Lievens P, Nguyen MT.
    J Phys Chem A; 2009 Aug 13; 113(32):9080-91. PubMed ID: 19621914
    [Abstract] [Full Text] [Related]

  • 3. 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]

  • 4. 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]

  • 5. 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]

  • 6. Theoretical study of oxygen adsorption on pure Au(n+1)+ and doped MAu(n)+ cationic gold clusters for M = Ti, Fe and n = 3-7.
    Torres MB, Fernández EM, Balbás LC.
    J Phys Chem A; 2008 Jul 24; 112(29):6678-89. PubMed ID: 18578480
    [Abstract] [Full Text] [Related]

  • 7. 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]

  • 8. Probing the electronic and structural properties of chromium oxide clusters (CrO3)n(-) and (CrO3)n (n = 1-5): photoelectron spectroscopy and density functional calculations.
    Zhai HJ, Li S, Dixon DA, Wang LS.
    J Am Chem Soc; 2008 Apr 16; 130(15):5167-77. PubMed ID: 18327905
    [Abstract] [Full Text] [Related]

  • 9. 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]

  • 10. 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]

  • 11. 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]

  • 12. Electronic structure of germanium monohydrides Ge(n)H, n = 1-3.
    Gopakumar G, Ngan VT, Lievens P, Nguyen MT.
    J Phys Chem A; 2008 Nov 27; 112(47):12187-95. PubMed ID: 18986124
    [Abstract] [Full Text] [Related]

  • 13. 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]

  • 14. Density functional study of structural and electronic properties of bimetallic copper-gold clusters: comparison with pure and doped gold clusters.
    Wang HQ, Kuang XY, Li HF.
    Phys Chem Chem Phys; 2010 May 21; 12(19):5156-65. PubMed ID: 20358129
    [Abstract] [Full Text] [Related]

  • 15. Molecular structures, energetics, and electronic properties of neutral and charged Hg(n) clusters (n = 2-8).
    Kang J, Kim J, Ihee H, Lee YS.
    J Phys Chem A; 2010 May 13; 114(18):5630-9. PubMed ID: 20402486
    [Abstract] [Full Text] [Related]

  • 16. Interaction of triatomic germanium with lithium atoms: electronic structure and stability of Ge3Lin clusters.
    Gopakumar G, Lievens P, Nguyen MT.
    J Phys Chem A; 2007 May 24; 111(20):4353-61. PubMed ID: 17472349
    [Abstract] [Full Text] [Related]

  • 17. Structural and electronic properties of reduced transition metal oxide clusters, M4O10 and M4O10- (M = Cr, W), from photoelectron spectroscopy and quantum chemical calculations.
    Li S, Zhai HJ, Wang LS, Dixon DA.
    J Phys Chem A; 2012 May 31; 116(21):5256-71. PubMed ID: 22551114
    [Abstract] [Full Text] [Related]

  • 18. A Gaussian-3 theoretical study of small silicon-lithium clusters: electronic structures and electron affinities of SinLi(-) (n = 2-8).
    Hao D, Liu J, Yang J.
    J Phys Chem A; 2008 Oct 16; 112(41):10113-9. PubMed ID: 18808100
    [Abstract] [Full Text] [Related]

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