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Journal Abstract Search

351 related items for PubMed ID: 16852018

  • 1. Investigation of possible structures of silicon nanotubes via density-functional tight-binding molecular dynamics simulations and ab initio calculations.
    Zhang RQ, Lee HL, Li WK, Teo BK.
    J Phys Chem B; 2005 May 12; 109(18):8605-12. PubMed ID: 16852018
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  • 2. The structure, energetics and thermal evolution of SiGe nanotubes.
    Liu X, Cheng D, Cao D.
    Nanotechnology; 2009 Aug 05; 20(31):315705. PubMed ID: 19597260
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  • 3. A hybrid density functional study of zigzag SiC nanotubes.
    Alam KM, Ray AK.
    Nanotechnology; 2007 Dec 12; 18(49):495706. PubMed ID: 20442487
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  • 4. First-principles calculations of AlN nanowires and nanotubes: atomic structures, energetics, and surface states.
    Zhao M, Xia Y, Liu X, Tan Z, Huang B, Song C, Mei L.
    J Phys Chem B; 2006 May 04; 110(17):8764-8. PubMed ID: 16640433
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  • 5. Effect of the adsorption of oxygen on electronic structures and geometrical parameters of armchair single-wall carbon nanotubes: a density functional study.
    Rafati AA, Hashemianzadeh SM, Nojini ZB.
    J Colloid Interface Sci; 2009 Aug 01; 336(1):1-12. PubMed ID: 19394629
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  • 6. C-BN single-walled nanotubes from hybrid connection of BN/C nanoribbons: prediction by ab initio density functional calculations.
    Du A, Chen Y, Zhu Z, Lu G, Smith SC.
    J Am Chem Soc; 2009 Feb 11; 131(5):1682-3. PubMed ID: 19152268
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  • 15. First-principles investigations on the functionalization of chiral and non-chiral carbon nanotubes by Diels-Alder cycloaddition reactions.
    Mercuri F, Sgamellotti A.
    Phys Chem Chem Phys; 2009 Jan 21; 11(3):563-7. PubMed ID: 19283274
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  • 17. First-principles study of Co-doped single-walled silicon nanotubes.
    He T, Zhao M, Li W, Lin X, Zhang X, Liu X, Xia Y, Mei L.
    Nanotechnology; 2008 May 21; 19(20):205707. PubMed ID: 21825750
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  • 18. Theoretical study of the 13C NMR spectroscopy of single-walled carbon nanotubes.
    Besley NA, Titman JJ, Wright MD.
    J Am Chem Soc; 2005 Dec 21; 127(50):17948-53. PubMed ID: 16351126
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  • 19. First-principles calculation on the conductance of a single 1,4-diisocyanatobenzene molecule with single-walled carbon nanotubes as the electrodes.
    Qian Z, Hou S, Ning J, Li R, Shen Z, Zhao X, Xue Z.
    J Chem Phys; 2007 Feb 28; 126(8):084705. PubMed ID: 17343467
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