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1001 related items for PubMed ID: 16942335

  • 1. Structural and electronic properties of Si(n), Si(n)-, and PSi(n-1) clusters (2 < or = n < or = 13): Theoretical investigation based on ab initio molecular orbital theory.
    Nigam S, Majumder C, Kulshreshtha SK.
    J Chem Phys; 2006 Aug 21; 125(7):074303. PubMed ID: 16942335
    [Abstract] [Full Text] [Related]

  • 2. 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]

  • 3. Geometrical and electronic properties of neutral and charged cesium clusters Cs(n) (n=2-10): a theoretical study.
    Ali Basu M, Maity DK, Das D, Mukherjee T.
    J Chem Phys; 2006 Jan 14; 124(2):024325. PubMed ID: 16422601
    [Abstract] [Full Text] [Related]

  • 4. 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]

  • 5. 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]

  • 6. Ab initio study of neutral and charged SinNap(+) (n <or= 6, p <or= 2) clusters.
    Sporea C, Rabilloud F, Allouche AR, Frécon M.
    J Phys Chem A; 2006 Jan 26; 110(3):1046-51. PubMed ID: 16420006
    [Abstract] [Full Text] [Related]

  • 7. Fluxional and aromatic behavior in small magic silicon clusters: a full ab initio study of Si(n), Si(n) (1-), Si(n) (2-), and Si(n) (1+), n=6, 10 clusters.
    Zdetsis AD.
    J Chem Phys; 2007 Jul 07; 127(1):014314. PubMed ID: 17627353
    [Abstract] [Full Text] [Related]

  • 8. Structures and stability of medium silicon clusters. II. Ab initio molecular orbital calculations of Si12-Si20.
    Zhu XL, Zeng XC, Lei YA, Pan B.
    J Chem Phys; 2004 May 15; 120(19):8985-95. PubMed ID: 15267834
    [Abstract] [Full Text] [Related]

  • 9. 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]

  • 10. 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]

  • 11. 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]

  • 12. A new class of silicon-carbon clusters: a full study of the hydrogenated SinC2H2, n=3,4,5, clusters in comparison with their isoelectronic carboranes C2BnHn+2.
    Zdetsis AD.
    J Chem Phys; 2008 May 14; 128(18):184305. PubMed ID: 18532810
    [Abstract] [Full Text] [Related]

  • 13. Ab initio molecular-orbital study of structures and energetics of Si3H3 neutral and anion.
    Saitoh T, Naoe T, Ikuta S.
    J Chem Phys; 2005 May 22; 122(20):204314. PubMed ID: 15945731
    [Abstract] [Full Text] [Related]

  • 14. 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]

  • 15. Theoretical study on isomeric stabilities of C2H2Si and its ionization potentials and electron affinities.
    Ikuta S, Saitoh T, Wakamatsu S.
    J Chem Phys; 2004 Aug 22; 121(8):3478-85. PubMed ID: 15303912
    [Abstract] [Full Text] [Related]

  • 16. Silicon monohydride clusters Si(n)H (n = 4-10) and their anions: structures, thermochemistry, and electron affinities.
    Yang J, Bai X, Li C, Xu W.
    J Phys Chem A; 2005 Jun 30; 109(25):5717-23. PubMed ID: 16833904
    [Abstract] [Full Text] [Related]

  • 17.
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  • 18. 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]

  • 19. 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]

  • 20. Structural and electronic properties of boron-doped lithium clusters: ab initio and DFT studies.
    Li Y, Wu D, Li ZR, Sun CC.
    J Comput Chem; 2007 Jul 30; 28(10):1677-84. PubMed ID: 17342718
    [Abstract] [Full Text] [Related]

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