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Journal Abstract Search

248 related items for PubMed ID: 20555186

  • 1. Multipole electron-density modelling of synchrotron powder diffraction data: the case of diamond.
    Svendsen H, Overgaard J, Busselez R, Arnaud B, Rabiller P, Kurita A, Nishibori E, Sakata M, Takata M, Iversen BB.
    Acta Crystallogr A; 2010 Jul; 66(Pt 4):458-69. PubMed ID: 20555186
    [Abstract] [Full Text] [Related]

  • 2. On the application of an experimental multipolar pseudo-atom library for accurate refinement of small-molecule and protein crystal structures.
    Zarychta B, Pichon-Pesme V, Guillot B, Lecomte C, Jelsch C.
    Acta Crystallogr A; 2007 Mar; 63(Pt 2):108-25. PubMed ID: 17301471
    [Abstract] [Full Text] [Related]

  • 3. Finding optimal radial-function parameters for S atoms in the Hansen-Coppens multipole model through refinement of theoretical densities.
    Dominiak PM, Coppens P.
    Acta Crystallogr A; 2006 May; 62(Pt 3):224-7. PubMed ID: 16614495
    [Abstract] [Full Text] [Related]

  • 4. The charge density of urea from synchrotron diffraction data.
    Birkedal H, Madsen D, Mathiesen RH, Knudsen K, Weber HP, Pattison P, Schwarzenbach D.
    Acta Crystallogr A; 2004 Sep; 60(Pt 5):371-81. PubMed ID: 15477674
    [Abstract] [Full Text] [Related]

  • 5. Accurate structure factors and experimental charge densities from synchrotron X-ray powder diffraction data at SPring-8.
    Nishibori E, Sunaoshi E, Yoshida A, Aoyagi S, Kato K, Takata M, Sakata M.
    Acta Crystallogr A; 2007 Jan; 63(Pt 1):43-52. PubMed ID: 17179606
    [Abstract] [Full Text] [Related]

  • 6. Interstitial Zn atoms do the trick in thermoelectric zinc antimonide, Zn4Sb3: a combined maximum entropy method X-ray electron density and ab initio electronic structure study.
    Cargnoni F, Nishibori E, Rabiller P, Bertini L, Snyder GJ, Christensen M, Gatti C, Iversen BB.
    Chemistry; 2004 Aug 20; 10(16):3861-70. PubMed ID: 15317052
    [Abstract] [Full Text] [Related]

  • 7. 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 20; 62(Pt 4):676-88. PubMed ID: 16840817
    [Abstract] [Full Text] [Related]

  • 8. Charge-density studies of energetic materials: CL-20 and FOX-7.
    Meents A, Dittrich B, Johnas SK, Thome V, Weckert EF.
    Acta Crystallogr B; 2008 Feb 20; 64(Pt 1):42-9. PubMed ID: 18204210
    [Abstract] [Full Text] [Related]

  • 9. Experimental determination of core electron deformation in diamond.
    Bindzus N, Straasø T, Wahlberg N, Becker J, Bjerg L, Lock N, Dippel AC, Iversen BB.
    Acta Crystallogr A Found Adv; 2014 Jan 20; 70(Pt 1):39-48. PubMed ID: 24419169
    [Abstract] [Full Text] [Related]

  • 10. Multipole electron densities and structural parameters from synchrotron powder X-ray diffraction data obtained with a MYTHEN detector system (OHGI).
    Svane B, Tolborg K, Kato K, Iversen BB.
    Acta Crystallogr A Found Adv; 2021 Mar 01; 77(Pt 2):85-95. PubMed ID: 33646194
    [Abstract] [Full Text] [Related]

  • 11. Experimental and theoretical charge density studies at subatomic resolution.
    Fischer A, Tiana D, Scherer W, Batke K, Eickerling G, Svendsen H, Bindzus N, Iversen BB.
    J Phys Chem A; 2011 Nov 17; 115(45):13061-71. PubMed ID: 21863852
    [Abstract] [Full Text] [Related]

  • 12. Electron density and thermal motion of diamond at elevated temperatures.
    Beyer J, Grønbech TBE, Zhang J, Kato K, Brummerstedt Iversen B.
    Acta Crystallogr A Found Adv; 2023 Jan 01; 79(Pt 1):41-50. PubMed ID: 36601762
    [Abstract] [Full Text] [Related]

  • 13. Maximum entropy method and charge flipping, a powerful combination to visualize the true nature of structural disorder from in situ X-ray powder diffraction data.
    Samy A, Dinnebier RE, van Smaalen S, Jansen M.
    Acta Crystallogr B; 2010 Apr 01; 66(Pt 2):184-95. PubMed ID: 20305352
    [Abstract] [Full Text] [Related]

  • 14. Structure of Ca(BD4)2 beta-phase from combined neutron and synchrotron X-ray powder diffraction data and density functional calculations.
    Buchter F, Łodziana Z, Remhof A, Friedrichs O, Borgschulte A, Mauron P, Züttel A, Sheptyakov D, Barkhordarian G, Bormann R, Chłopek K, Fichtner M, Sørby M, Riktor M, Hauback B, Orimo S.
    J Phys Chem B; 2008 Jul 10; 112(27):8042-8. PubMed ID: 18553898
    [Abstract] [Full Text] [Related]

  • 15. Experimental X-ray charge density studies on the binary carbonyls Cr(CO)6, Fe(CO)5, and Ni(CO)4.
    Farrugia LJ, Evans C.
    J Phys Chem A; 2005 Oct 06; 109(39):8834-48. PubMed ID: 16834287
    [Abstract] [Full Text] [Related]

  • 16. Structural analysis and multipole modelling of quercetin monohydrate--a quantitative and comparative study.
    Domagała S, Munshi P, Ahmed M, Guillot B, Jelsch C.
    Acta Crystallogr B; 2011 Feb 06; 67(Pt 1):63-78. PubMed ID: 21245542
    [Abstract] [Full Text] [Related]

  • 17. Synchrotron X-ray charge-density study of coordination polymer [Mn(HCOO)2(H2O)2]infinity.
    Poulsen RD, Jørgensen MR, Overgaard J, Larsen FK, Morgenroth W, Graber T, Chen YS, Iversen BB.
    Chemistry; 2007 Feb 06; 13(35):9775-90. PubMed ID: 17992669
    [Abstract] [Full Text] [Related]

  • 18. Accurate charge density of the tripeptide Ala-Pro-Ala with the maximum entropy method (MEM): influence of data resolution.
    Hofmann A, Kalinowski R, Luger P, van Smaalen S.
    Acta Crystallogr B; 2007 Aug 06; 63(Pt 4):633-43. PubMed ID: 17641434
    [Abstract] [Full Text] [Related]

  • 19. Experimental and theoretical charge density study of chemical bonding in a Co dimer complex.
    Overgaard J, Clausen HF, Platts JA, Iversen BB.
    J Am Chem Soc; 2008 Mar 26; 130(12):3834-43. PubMed ID: 18314974
    [Abstract] [Full Text] [Related]

  • 20. Charge-density study on cyclosporine A.
    Johnas SK, Dittrich B, Meents A, Messerschmidt M, Weckert EF.
    Acta Crystallogr D Biol Crystallogr; 2009 Mar 26; 65(Pt 3):284-93. PubMed ID: 19237751
    [Abstract] [Full Text] [Related]

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