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625 related items for PubMed ID: 16422601

  • 1. 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]

  • 2. Microhydration of Cs+ ion: a density functional theory study on Cs+-(H2O)n clusters (n=1-10).
    Ali SM, De S, Maity DK.
    J Chem Phys; 2007 Jul 28; 127(4):044303. PubMed ID: 17672686
    [Abstract] [Full Text] [Related]

  • 3. A comparative ab initio study of Br2*- and Br2 water clusters.
    Pathak AK, Mukherjee T, Maity DK.
    J Chem Phys; 2006 Jan 14; 124(2):024322. PubMed ID: 16422598
    [Abstract] [Full Text] [Related]

  • 4. 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]

  • 5. 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]

  • 6. Microhydration shell structure in Cl2*-.nH2O clusters: A theoretical study.
    Pathak AK, Mukherjee T, Maity DK.
    J Chem Phys; 2006 Aug 21; 125(7):074309. PubMed ID: 16942341
    [Abstract] [Full Text] [Related]

  • 7. 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]

  • 8. Ab initio studies of properties of small potassium clusters.
    Banerjee A, Ghanty TK, Chakrabarti A.
    J Phys Chem A; 2008 Dec 04; 112(48):12303-11. PubMed ID: 18998655
    [Abstract] [Full Text] [Related]

  • 9. Theoretical studies on photoelectron and IR spectral properties of Br2.-(H2O)n clusters.
    Pathak AK, Mukherjee T, Maity DK.
    J Chem Phys; 2007 Jul 28; 127(4):044304. PubMed ID: 17672687
    [Abstract] [Full Text] [Related]

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  • 11. 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]

  • 12. 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]

  • 13. Experimental and theoretical study of the microsolvation of sodium atoms in methanol clusters: differences and similarities to sodium-water and sodium-ammonia.
    Dauster I, Suhm MA, Buck U, Zeuch T.
    Phys Chem Chem Phys; 2008 Jan 07; 10(1):83-95. PubMed ID: 18075686
    [Abstract] [Full Text] [Related]

  • 14. Ab initio approach to the electronic properties of sodium-ammonia clusters: comparison with ammonia clusters.
    Almeida TS, Cabral BJ.
    J Chem Phys; 2010 Mar 07; 132(9):094307. PubMed ID: 20210398
    [Abstract] [Full Text] [Related]

  • 15. Structure and stability of Al-doped boron clusters by the density-functional theory.
    Feng XJ, Luo YH.
    J Phys Chem A; 2007 Mar 29; 111(12):2420-5. PubMed ID: 17388307
    [Abstract] [Full Text] [Related]

  • 16. The evolution of bonding and thermodynamic properties of boron-doped small carbon clusters: an ab initio study.
    Saloni J, Kadłubański P, Roszak S, Majumdar D, Hill G, Leszczynski J.
    Chemphyschem; 2011 May 09; 12(7):1358-66. PubMed ID: 21488139
    [Abstract] [Full Text] [Related]

  • 17. Ab initio finite field (hyper)polarizability computations on stoichiometric gallium arsenide clusters GanAsn (n=2-9).
    Karamanis P, Bégué D, Pouchan C.
    J Chem Phys; 2007 Sep 07; 127(9):094706. PubMed ID: 17824758
    [Abstract] [Full Text] [Related]

  • 18. Structural, electronic, and magnetic properties of Y(n)O (n=2-14) clusters: Density functional study.
    Yang Z, Xiong SJ.
    J Chem Phys; 2008 Sep 28; 129(12):124308. PubMed ID: 19045024
    [Abstract] [Full Text] [Related]

  • 19. Experimental and theoretical study of neutral AlmCn and AlmCnHx clusters.
    Dong F, Heinbuch S, Xie Y, Rocca JJ, Bernstein ER.
    Phys Chem Chem Phys; 2010 Mar 20; 12(11):2569-81. PubMed ID: 20200733
    [Abstract] [Full Text] [Related]

  • 20. Structures and properties of stable Al4, Al4+, and Al4- comparatively studied by ab initio theories.
    Zhao YL, Zhang RJ.
    J Phys Chem A; 2007 Aug 02; 111(30):7189-93. PubMed ID: 17628048
    [Abstract] [Full Text] [Related]

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