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248 related items for PubMed ID: 22088063

  • 1. Lowest-energy structures and electronic properties of Na-Si binary clusters from ab initio global search.
    Sai L, Tang L, Zhao J, Wang J, Kumar V.
    J Chem Phys; 2011 Nov 14; 135(18):184305. PubMed ID: 22088063
    [Abstract] [Full Text] [Related]

  • 2. Structures and energetics of neutral and ionic silicon-germanium clusters: density functional theory and coupled cluster studies.
    Wang YS, Chao SD.
    J Phys Chem A; 2011 Mar 10; 115(9):1472-85. PubMed ID: 21322541
    [Abstract] [Full Text] [Related]

  • 3. 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]

  • 4. 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]

  • 5. Density functional investigations on structural and electronic properties of anionic and neutral sodium clusters Na(N) (N = 40-147): comparison with the experimental photoelectron spectra.
    Ghazi SM, De S, Kanhere DG, Goedecker S.
    J Phys Condens Matter; 2011 Oct 12; 23(40):405303. PubMed ID: 21937791
    [Abstract] [Full Text] [Related]

  • 6. 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]

  • 7. Doping-enhanced hyperpolarizabilities of silicon clusters: a global ab initio and density functional theory study of Si10 (Li, Na, K)n (n=1, 2) clusters.
    Karamanis P, Marchal R, Carbonniére P, Pouchan C.
    J Chem Phys; 2011 Jul 28; 135(4):044511. PubMed ID: 21806142
    [Abstract] [Full Text] [Related]

  • 8. Oxidation pattern of small silicon oxide clusters: structures and stability of Si6On (n = 1-12).
    Zang QJ, Su ZM, Lu WC, Wang CZ, Ho KM.
    J Phys Chem A; 2006 Jul 06; 110(26):8151-7. PubMed ID: 16805502
    [Abstract] [Full Text] [Related]

  • 9. 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]

  • 10. Electronic properties of Si and Ge atoms doped in clusters: In(n)Si(m) and In(n)Ge(m).
    Akutsu M, Koyasu K, Atobe J, Miyajima K, Mitsui M, Nakajima A.
    J Phys Chem A; 2007 Feb 01; 111(4):573-7. PubMed ID: 17249745
    [Abstract] [Full Text] [Related]

  • 11. 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]

  • 12. 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]

  • 13. Experimental and theoretical investigation on binary semiconductor clusters of Bi/Si, Bi/Ge, and Bi/Sn.
    Sun S, Liu H, Tang Z.
    J Phys Chem A; 2006 Apr 20; 110(15):5004-9. PubMed ID: 16610818
    [Abstract] [Full Text] [Related]

  • 14. Theoretical studies on the bonding and thermodynamic properties of Ge n Si m (m+n=5) clusters: the precursors of germanium/silicon nanomaterials.
    Wielgus P, Roszak S, Majumdar D, Saloni J, Leszczynski J.
    J Chem Phys; 2008 Apr 14; 128(14):144305. PubMed ID: 18412443
    [Abstract] [Full Text] [Related]

  • 15. Ab initio and anion photoelectron study of AunRhm (n = 1-7, m = 1-2) clusters.
    Buendía F, Beltrán MR, Zhang X, Liu G, Buytendyk A, Bowen K.
    Phys Chem Chem Phys; 2015 Nov 14; 17(42):28219-27. PubMed ID: 25886662
    [Abstract] [Full Text] [Related]

  • 16. Comparison of the growth patterns of Si(n) and Ge(n) clusters (n = 25-33).
    Zhao LZ, Lu WC, Qin W, Wang CZ, Ho KM.
    J Phys Chem A; 2008 Jul 03; 112(26):5815-23. PubMed ID: 18533643
    [Abstract] [Full Text] [Related]

  • 17. 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]

  • 18. 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]

  • 19. Structures and photoelectron spectroscopy of Cu(n)(BO2)m-(n, m=1, 2) clusters: observation of hyperhalogen behavior.
    Feng Y, Xu HG, Zheng W, Zhao H, Kandalam AK, Jena P.
    J Chem Phys; 2011 Mar 07; 134(9):094309. PubMed ID: 21384971
    [Abstract] [Full Text] [Related]

  • 20. An ab initio calculation study of silicon and carbon binary clusters C7Si(n) (n = 1-7).
    Zhang J, Lu WC, Zang QJ, Zhao LZ, Wang CZ, Ho KM.
    J Phys Condens Matter; 2011 May 25; 23(20):205305. PubMed ID: 21540510
    [Abstract] [Full Text] [Related]

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