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Journal Abstract Search

226 related items for PubMed ID: 23114431

  • 1. Simple benzene derivatives adsorption on defective single-walled carbon nanotubes: a first-principles van der Waals density functional study.
    Ganji MD, Mohseni M, Bakhshandeh A.
    J Mol Model; 2013 Mar; 19(3):1059-67. PubMed ID: 23114431
    [Abstract] [Full Text] [Related]

  • 2. Van der Waals-corrected density functional theory: benchmarking for hydrogen-nanotube and nanotube-nanotube interactions.
    Du AJ, Smith SC.
    Nanotechnology; 2005 Oct; 16(10):2118-23. PubMed ID: 20817982
    [Abstract] [Full Text] [Related]

  • 3. Physisorption of nucleobases on graphene: a comparative van der Waals study.
    Le D, Kara A, Schröder E, Hyldgaard P, Rahman TS.
    J Phys Condens Matter; 2012 Oct 24; 24(42):424210. PubMed ID: 23032709
    [Abstract] [Full Text] [Related]

  • 4. Ab initio and semi-empirical van der Waals study of graphene-boron nitride interaction from a molecular point of view.
    Caciuc V, Atodiresei N, Callsen M, Lazić P, Blügel S.
    J Phys Condens Matter; 2012 Oct 24; 24(42):424214. PubMed ID: 23032913
    [Abstract] [Full Text] [Related]

  • 5. Modeling the interaction between anti-cancer drug penicillamine and pristine and functionalized carbon nanotubes for medical applications: density functional theory investigation and a molecular dynamics simulation.
    Shaki H, Raissi H, Mollania F, Hashemzadeh H.
    J Biomol Struct Dyn; 2020 Mar 24; 38(5):1322-1334. PubMed ID: 31002028
    [Abstract] [Full Text] [Related]

  • 6. Electronic properties and gas adsorption behaviour of pristine, silicon-, and boron-doped (8, 0) single-walled carbon nanotube: A first principles study.
    Azam MA, Alias FM, Tack LW, Seman RNAR, Taib MFM.
    J Mol Graph Model; 2017 Aug 24; 75():85-93. PubMed ID: 28531817
    [Abstract] [Full Text] [Related]

  • 7. Stacking Interactions of Poly Para-Phenylene Vinylene Oligomers with Graphene and Single-Walled Carbon Nanotubes: A Molecular Dynamics Approach.
    Dagadu NA, Ajori S, Bensah YD, Kan-Dapaah K, Armah SK, Onwona-Agyeman B, Yaya A.
    Molecules; 2020 Oct 20; 25(20):. PubMed ID: 33092029
    [Abstract] [Full Text] [Related]

  • 8. Density functional theory calculations and molecular dynamics simulations of the adsorption of biomolecules on graphene surfaces.
    Qin W, Li X, Bian WW, Fan XJ, Qi JY.
    Biomaterials; 2010 Feb 20; 31(5):1007-16. PubMed ID: 19880174
    [Abstract] [Full Text] [Related]

  • 9. Endohedral and exohedral complexes of substituted benzenes with carbon nanotubes and graphene.
    Munusamy E, Wheeler SE.
    J Chem Phys; 2013 Sep 07; 139(9):094703. PubMed ID: 24028126
    [Abstract] [Full Text] [Related]

  • 10. Density functional study on the adsorption of the drug isoniazid onto pristine and B-doped single wall carbon nanotubes.
    Saikia N, Deka RC.
    J Mol Model; 2013 Jan 07; 19(1):215-26. PubMed ID: 22864625
    [Abstract] [Full Text] [Related]

  • 11. Unzipping and binding of small interfering RNA with single walled carbon nanotube: a platform for small interfering RNA delivery.
    Santosh M, Panigrahi S, Bhattacharyya D, Sood AK, Maiti PK.
    J Chem Phys; 2012 Feb 14; 136(6):065106. PubMed ID: 22360226
    [Abstract] [Full Text] [Related]

  • 12. Electronic properties and reactivity of Pt-doped carbon nanotubes.
    Tian WQ, Liu LV, Wang YA.
    Phys Chem Chem Phys; 2006 Aug 14; 8(30):3528-39. PubMed ID: 16871342
    [Abstract] [Full Text] [Related]

  • 13. Noncovalent and covalent functionalization of a (5, 0) single-walled carbon nanotube with alanine and alanine radicals.
    Rajarajeswari M, Iyakutti K, Kawazoe Y.
    J Mol Model; 2012 Feb 14; 18(2):771-81. PubMed ID: 21594759
    [Abstract] [Full Text] [Related]

  • 14. Spectroscopic properties of nanotube-chromophore hybrids.
    Huang C, Wang RK, Wong BM, McGee DJ, Léonard F, Kim YJ, Johnson KF, Arnold MS, Eriksson MA, Gopalan P.
    ACS Nano; 2011 Oct 25; 5(10):7767-74. PubMed ID: 21919456
    [Abstract] [Full Text] [Related]

  • 15. Spontaneous encapsulation behavior of ionic liquid into carbon nanotube.
    Jiang Y, Zhang K, Li H, He Y, Song X.
    Nanoscale; 2012 Nov 21; 4(22):7063-9. PubMed ID: 23051856
    [Abstract] [Full Text] [Related]

  • 16. Mechanisms for strong adsorption of tetracycline to carbon nanotubes: a comparative study using activated carbon and graphite as adsorbents.
    Ji L, Chen W, Duan L, Zhu D.
    Environ Sci Technol; 2009 Apr 01; 43(7):2322-7. PubMed ID: 19452881
    [Abstract] [Full Text] [Related]

  • 17. Theoretical insights into the interaction mechanism between proteins and SWCNTs: adsorptions of tripeptides GXG on SWCNTs.
    Wang Y, Ai H.
    J Phys Chem B; 2009 Jul 16; 113(28):9620-7. PubMed ID: 19548664
    [Abstract] [Full Text] [Related]

  • 18. The effect of Fe doping on adsorption of CO2/N2 within carbon nanotubes: a density functional theory study with dispersion corrections.
    Du AJ, Sun CH, Zhu ZH, Lu GQ, Rudolph V, Smith SC.
    Nanotechnology; 2009 Sep 16; 20(37):375701. PubMed ID: 19706942
    [Abstract] [Full Text] [Related]

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  • 20. Application of van der Waals density functional to an extended system: adsorption of benzene and naphthalene on graphite.
    Chakarova-Käck SD, Schröder E, Lundqvist BI, Langreth DC.
    Phys Rev Lett; 2006 Apr 14; 96(14):146107. PubMed ID: 16712103
    [Abstract] [Full Text] [Related]

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