These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

588 related items for PubMed ID: 23676062

  • 1. A DFT study on structural, vibrational properties, and quasiparticle band structure of solid nitromethane.
    Appalakondaiah S, Vaitheeswaran G, Lebègue S.
    J Chem Phys; 2013 May 14; 138(18):184705. PubMed ID: 23676062
    [Abstract] [Full Text] [Related]

  • 2.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 3.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 4.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 5. Structural, elastic constant, and vibrational properties of wurtzite gallium nitride: a first-principles approach.
    Usman Z, Cao C, Khan WS, Mahmood T, Hussain S, Nabi G.
    J Phys Chem A; 2011 Dec 22; 115(50):14502-9. PubMed ID: 22044256
    [Abstract] [Full Text] [Related]

  • 6. Electronic structure, optical properties and the mechanism of the B3-B8 phase transition of BeSe: insights from hybrid functionals, lattice dynamics and NPH molecular dynamics.
    Dutta R, Alptekin S, Mandal N.
    J Phys Condens Matter; 2013 Mar 27; 25(12):125401. PubMed ID: 23449396
    [Abstract] [Full Text] [Related]

  • 7. Pressure induced structural phase transition in solid oxidizer KClO3: a first-principles study.
    Yedukondalu N, Ghule VD, Vaitheeswaran G.
    J Chem Phys; 2013 May 07; 138(17):174701. PubMed ID: 23656146
    [Abstract] [Full Text] [Related]

  • 8.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 9. Density functional theory calculations of solid nitromethane under hydrostatic and uniaxial compressions with empirical van der Waals correction.
    Conroy MW, Oleynik II, Zybin SV, White CT.
    J Phys Chem A; 2009 Apr 16; 113(15):3610-4. PubMed ID: 19320444
    [Abstract] [Full Text] [Related]

  • 10. First-principles calculations of the adsorption of nitromethane and 1,1-diamino-2,2-dinitroethylene (FOX-7) molecules on the alpha-Al2O3(0001) surface.
    Sorescu DC, Boatz JA, Thompson DL.
    J Phys Chem B; 2005 Feb 03; 109(4):1451-63. PubMed ID: 16851116
    [Abstract] [Full Text] [Related]

  • 11. L-Asparagine crystals with wide gap semiconductor features: optical absorption measurements and density functional theory computations.
    Zanatta G, Gottfried C, Silva AM, Caetano EW, Sales FA, Freire VN.
    J Chem Phys; 2014 Mar 28; 140(12):124511. PubMed ID: 24697463
    [Abstract] [Full Text] [Related]

  • 12. Phase stability and lattice dynamics of ammonium azide under hydrostatic compression.
    Yedukondalu N, Vaitheeswaran G, Anees P, Valsakumar MC.
    Phys Chem Chem Phys; 2015 Nov 21; 17(43):29210-25. PubMed ID: 26465777
    [Abstract] [Full Text] [Related]

  • 13. Density functional study of electronic, bonding, and vibrational properties of Ca(NH2BH3)2.
    Lingam ChB, Babu KR, Tewari SP, Vaitheeswaran G.
    J Comput Chem; 2012 Apr 05; 33(9):987-97. PubMed ID: 22331833
    [Abstract] [Full Text] [Related]

  • 14. Structural, electronic, bonding, and elastic properties of NH3BH3: a density functional study.
    Lingam ChB, Babu KR, Tewari SP, Vaitheeswaran G.
    J Comput Chem; 2011 Jun 05; 32(8):1734-42. PubMed ID: 21425297
    [Abstract] [Full Text] [Related]

  • 15. Dispersion Corrected Structural Properties and Quasiparticle Band Gaps of Several Organic Energetic Solids.
    Appalakondaiah S, Vaitheeswaran G, Lebègue S.
    J Phys Chem A; 2015 Jun 18; 119(24):6574-81. PubMed ID: 25978775
    [Abstract] [Full Text] [Related]

  • 16. Structural stability, vibrational, and bonding properties of potassium 1, 1'-dinitroamino-5, 5'-bistetrazolate: An emerging green primary explosive.
    Yedukondalu N, Vaitheeswaran G.
    J Chem Phys; 2015 Aug 14; 143(6):064508. PubMed ID: 26277146
    [Abstract] [Full Text] [Related]

  • 17. Density functional study of the electronic structure and lattice dynamics of SrCl2.
    Kanchana V, Vaitheeswaran G, Souvatzis P, Eriksson O, Lebègue S.
    J Phys Condens Matter; 2010 Nov 10; 22(44):445402. PubMed ID: 21403346
    [Abstract] [Full Text] [Related]

  • 18. First-principles calculations of the structural, electronic, optical and elastic properties of the CuYS2 semiconductor.
    Brik MG.
    J Phys Condens Matter; 2013 Aug 28; 25(34):345802. PubMed ID: 23899668
    [Abstract] [Full Text] [Related]

  • 19. Syntheses, structural analyses and redox kinetics of four-coordinate [CuL2]2+ and five-coordinate [CuL2(solvent)]2+ complexes (L = 6,6'-dimethyl-2,2'-bipyridine or 2,9-dimethyl-1,10-phenanthroline): completely gated reduction reaction of [Cu(dmp)2]2+ in nitromethane.
    Itoh S, Kishikawa N, Suzuki T, Takagi HD.
    Dalton Trans; 2005 Mar 21; (6):1066-78. PubMed ID: 15739009
    [Abstract] [Full Text] [Related]

  • 20. Fundamental state quantities and high-pressure phase transition in beryllium chalcogenides.
    Berghout A, Zaoui A, Hugel J.
    J Phys Condens Matter; 2006 Nov 22; 18(46):10365-75. PubMed ID: 21690923
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 30.