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386 related items for PubMed ID: 15507737

  • 1. Modeling of the nuclear parameters for H atoms in X-ray charge-density studies.
    Madsen AØ, Sørensen HO, Flensburg C, Stewart RF, Larsen S.
    Acta Crystallogr A; 2004 Nov; 60(Pt 6):550-61. PubMed ID: 15507737
    [Abstract] [Full Text] [Related]

  • 2. Towards the best model for H atoms in experimental charge-density refinement.
    Hoser AA, Dominiak PM, Woźniak K.
    Acta Crystallogr A; 2009 Jul; 65(Pt 4):300-11. PubMed ID: 19535851
    [Abstract] [Full Text] [Related]

  • 3. Anisotropic displacement parameters for H atoms using an ONIOM approach.
    Whitten AE, Spackman MA.
    Acta Crystallogr B; 2006 Oct; 62(Pt 5):875-88. PubMed ID: 16983168
    [Abstract] [Full Text] [Related]

  • 4. Estimated H-atom anisotropic displacement parameters: a comparison between different methods and with neutron diffraction results.
    Munshi P, Madsen AØ, Spackman MA, Larsen S, Destro R.
    Acta Crystallogr A; 2008 Jul; 64(Pt 4):465-75. PubMed ID: 18560163
    [Abstract] [Full Text] [Related]

  • 5. Electron distribution and molecular motion in crystalline benzene: an accurate experimental study combining CCD X-ray data on C6H6 with multitemperature neutron-diffraction results on C6D6.
    Bürgi HB, Capelli SC, Goeta AE, Howard JA, Spackman MA, Yufit DS.
    Chemistry; 2002 Aug 02; 8(15):3512-21. PubMed ID: 12203331
    [Abstract] [Full Text] [Related]

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  • 7. A neutron diffraction study of xylitol: derivation of mean square internal vibrations for H atoms from a rigid-body description.
    Madsen AØ, Mason S, Larsen S.
    Acta Crystallogr B; 2003 Oct 02; 59(Pt 5):653-63. PubMed ID: 14586087
    [Abstract] [Full Text] [Related]

  • 8. Nature of the bonding in metal-silane sigma-complexes.
    McGrady GS, Sirsch P, Chatterton NP, Ostermann A, Gatti C, Altmannshofer S, Herz V, Eickerling G, Scherer W.
    Inorg Chem; 2009 Feb 16; 48(4):1588-98. PubMed ID: 19146446
    [Abstract] [Full Text] [Related]

  • 9. Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
    Gardberg AS, Del Castillo AR, Weiss KL, Meilleur F, Blakeley MP, Myles DA.
    Acta Crystallogr D Biol Crystallogr; 2010 May 16; 66(Pt 5):558-67. PubMed ID: 20445231
    [Abstract] [Full Text] [Related]

  • 10. 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 May 16; 13(35):9775-90. PubMed ID: 17992669
    [Abstract] [Full Text] [Related]

  • 11. 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]

  • 12. 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]

  • 13. Contributions to the application of the transferability principle and the multipolar modeling of H atoms: electron-density study of L-histidinium dihydrogen orthophosphate orthophosphoric acid. I.
    Mata I, Espinosa E, Molins E, Veintemillas S, Maniukiewicz W, Lecomte C, Cousson A, Paulus W.
    Acta Crystallogr A; 2006 Sep 06; 62(Pt 5):365-78. PubMed ID: 16926485
    [Abstract] [Full Text] [Related]

  • 14. Temperature variation of ultralow frequency modes and mean square displacements in solid lasamide (diuretic drug) studied by 35Cl-NQR, X-ray and DFT/QTAIM.
    Latosińska JN, Latosińska M, Kasprzak J, Tomczak M, Maurin JK.
    J Phys Chem A; 2012 Oct 25; 116(42):10344-58. PubMed ID: 23020838
    [Abstract] [Full Text] [Related]

  • 15. Charge-density analysis of 1-nitroindoline: refinement quality using free R factors and restraints.
    Zarychta B, Zaleski J, Kyzioł J, Daszkiewicz Z, Jelsch C.
    Acta Crystallogr B; 2011 Jun 25; 67(Pt 3):250-62. PubMed ID: 21586833
    [Abstract] [Full Text] [Related]

  • 16. Comparison of different strategies for modelling hydrogen atoms in charge density analyses.
    Köhler C, Lübben J, Krause L, Hoffmann C, Herbst-Irmer R, Stalke D.
    Acta Crystallogr B Struct Sci Cryst Eng Mater; 2019 Jun 01; 75(Pt 3):434-441. PubMed ID: 32830665
    [Abstract] [Full Text] [Related]

  • 17. An experimental (120 K) and theoretical electron-density study of KMnO4 and KClO4.
    Marabello D, Bianchi R, Gervasio G, Cargnoni F.
    Acta Crystallogr A; 2004 Sep 01; 60(Pt 5):494-501. PubMed ID: 15477690
    [Abstract] [Full Text] [Related]

  • 18. Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX.
    Zhurov VV, Zhurova EA, Stash AI, Pinkerton AA.
    Acta Crystallogr A; 2011 Mar 01; 67(Pt 2):160-73. PubMed ID: 21325719
    [Abstract] [Full Text] [Related]

  • 19. 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 01; 60(Pt 5):371-81. PubMed ID: 15477674
    [Abstract] [Full Text] [Related]

  • 20. Progress in the understanding of drug-receptor interactions, Part 1: experimental charge-density study of an angiotensin II receptor antagonist (C30H30N6O3S) at T = 17 K.
    Destro R, Soave R, Barzaghi M, Lo Presti L.
    Chemistry; 2005 Aug 05; 11(16):4621-34. PubMed ID: 15915518
    [Abstract] [Full Text] [Related]

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