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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

124 related articles for article (PubMed ID: 22580145)

  • 1. An ab initio density functional study of the optical functions of 9-Methyl-3-Thiophen-2-YI-Thieno [3,2e] [1,2,4] Thriazolo [4,3c] Pyrimidine-8-Carboxylic Acid Ethyl Ester crystals.
    Reshak AH; Kityk IV; Khenata R; Al-Douri Y; Auluck S
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Sep; 95():582-8. PubMed ID: 22580145
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Dispersion of linear, nonlinear optical susceptibilities and hyperpolarizability of C11H8N2O (o-methoxydicyanovinylbenzene) crystals.
    Reshak AH; Kamarudin H; Kityk IV; Auluck S
    J Phys Chem B; 2012 Nov; 116(45):13338-43. PubMed ID: 23092265
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Density functional calculations of the electronic structure of 3-phenylamino-4-phenyl-1,2,4-triazole-5-thione.
    Hussain Reshak A; Stys D; Auluck S; Kityk IV
    Phys Chem Chem Phys; 2010 Mar; 12(12):2975-80. PubMed ID: 20449389
    [TBL] [Abstract][Full Text] [Related]  

  • 4. X-ray photoelectron spectrum and electronic properties of a noncentrosymmetric chalcopyrite compound HgGa(2)S(4): LDA, GGA, and EV-GGA.
    Reshak AH; Khenata R; Kityk IV; Plucinski KJ; Auluck S
    J Phys Chem B; 2009 Apr; 113(17):5803-8. PubMed ID: 19344138
    [TBL] [Abstract][Full Text] [Related]  

  • 5. FP-APW+lo calculations of the electronic and optical properties of alkali metal sulfides under pressure.
    Khachai H; Khenata R; Bouhemadou A; Haddou A; Reshak AH; Amrani B; Rached D; Soudini B
    J Phys Condens Matter; 2009 Mar; 21(9):095404. PubMed ID: 21817390
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Absorption and photoconductivity spectra of Ag₂GeS₃ crystal: experiment and theory.
    Reshak AH; Auluck S; Piasecki M; Myronchuk GL; Parasyuk O; Kityk IV; Kamarudin H
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jul; 93():274-9. PubMed ID: 22484263
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Ab initio study of TaON, an active photocatalyst under visible light irradiation.
    Reshak AH
    Phys Chem Chem Phys; 2014 Jun; 16(22):10558-65. PubMed ID: 24740793
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ab initio calculation of the electronic band structure, density of states and optical properties of alpha-2-methyl-1-nitroisothiourea.
    Reshak AH; Stys D; Auluck S; Kityk IV
    J Phys Chem B; 2009 Sep; 113(38):12648-54. PubMed ID: 19722528
    [TBL] [Abstract][Full Text] [Related]  

  • 9. MP2, density functional theory, and molecular mechanical calculations of C-H...pi and hydrogen bond interactions in a cellulose-binding module-cellulose model system.
    Mohamed MN; Watts HD; Guo J; Catchmark JM; Kubicki JD
    Carbohydr Res; 2010 Aug; 345(12):1741-51. PubMed ID: 20580346
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Dispersion of linear and nonlinear optical susceptibilities in calcium neodymium oxyborate Ca4NdO(BO3)3-LDA versus GGA.
    Reshak AH; Auluck S; Kityk IV
    J Phys Chem A; 2009 Feb; 113(8):1614-22. PubMed ID: 19199672
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Synthesis, structure and photophysical properties of two transitional metal supramolecular complexes.
    Zhang CS; Li J; Hou KL; Xing YH; Shi Z
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):777-82. PubMed ID: 21212018
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ab initio calculations of the electronic and optical properties of germanium selenide.
    Makinistian L; Albanesi EA
    J Phys Condens Matter; 2007 May; 19(18):186211. PubMed ID: 21690992
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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; 140(12):124511. PubMed ID: 24697463
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Acentric nonlinear optical 2,4-dihydroxyl hydrazone isomorphic crystals with large linear, nonlinear optical susceptibilities and hyperpolarizability.
    Reshak AH; Kamarudin H; Auluck S
    J Phys Chem B; 2012 Apr; 116(15):4677-83. PubMed ID: 22452425
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Crystallization force--a density functional theory concept for revealing intermolecular interactions and molecular packing in organic crystals.
    Li T; Ayers PW; Liu S; Swadley MJ; Aubrey-Medendorp C
    Chemistry; 2009; 15(2):361-71. PubMed ID: 19034948
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Experimental (13C NMR, 1H NMR, FT-IR, single-crystal X-ray diffraction) and DFT studies on 3,4-bis(isoproylamino)cyclobut-3-ene-1,2-dione.
    Süleymanoğlu N; Ustabaş R; Alpaslan YB; Eyduran F; Ozyürek C; Iskeleli NO
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):472-7. PubMed ID: 21963193
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities.
    Tsirelson VG; Stash AI; Potemkin VA; Rykounov AA; Shutalev AD; Zhurova EA; Zhurov VV; Pinkerton AA; Gurskaya GV; Zavodnik VE
    Acta Crystallogr B; 2006 Aug; 62(Pt 4):676-88. PubMed ID: 16840817
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 2-tert-Butyl-5-methyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine: molecular stacks built from C-H...pi(pyrazole) hydrogen bonds and pi-pi stacking interactions.
    Portilla J; Quiroga J; Cobo J; Glidewell C
    Acta Crystallogr C; 2008 Sep; 64(Pt 9):o471-3. PubMed ID: 18758012
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Experimental and theoretical charge density studies of 8-hydroxyquinoline cocrystallized with salicylic acid.
    Nguyen TH; Groundwater PW; Platts JA; Hibbs DE
    J Phys Chem A; 2012 Apr; 116(13):3420-7. PubMed ID: 22329666
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Effects of side-chain and electron exchange correlation on the band structure of perylene diimide liquid crystals: a density functional study.
    Arantes JT; Lima MP; Fazzio A; Xiang H; Wei SH; Dalpian GM
    J Phys Chem B; 2009 Apr; 113(16):5376-80. PubMed ID: 19368408
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.