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Journal Abstract Search

144 related items for PubMed ID: 16614495

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  • 4. Density-optimized radial exponents for X-ray charge-density refinement from ab initio crystal calculations.
    Volkov A, Abramov YA, Coppens P.
    Acta Crystallogr A; 2001 May; 57(Pt 3):272-82. PubMed ID: 11326112
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  • 5. A critical analysis of dipole-moment calculations as obtained from experimental and theoretical structure factors.
    Poulain-Paul A, Nassour A, Jelsch C, Guillot B, Kubicki M, Lecomte C.
    Acta Crystallogr A; 2012 Nov; 68(Pt 6):715-28. PubMed ID: 23075614
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  • 6. Experimental charge-density study of paracetamol--multipole refinement in the presence of a disordered methyl group.
    Bak JM, Dominiak PM, Wilson CC, Woźniak K.
    Acta Crystallogr A; 2009 Nov; 65(Pt 6):490-500. PubMed ID: 19844032
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  • 8. Critical examination of the radial functions in the Hansen-Coppens multipole model through topological analysis of primary and refined theoretical densities.
    Volkov A, Coppens P.
    Acta Crystallogr A; 2001 Jul; 57(Pt 4):395-405. PubMed ID: 11418749
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  • 10. 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
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  • 11. Determination of experimental charge density in model nickel macrocycle: [3,11-bis(methoxycarbonyl)-1,5,9,13-tetraazacyclohexadeca-1,3,9,11-tetraenato-(2-)-kappa(4)N]nickel(II).
    Domagała S, Korybut-Daszkiewicz B, Straver L, Woźniak K.
    Inorg Chem; 2009 May 04; 48(9):4010-20. PubMed ID: 19354267
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  • 12. Multipole refinement and electron density analysis in natural borosilicate datolite using X-ray diffraction data.
    Ivanov YV, Belokoneva EL.
    Acta Crystallogr B; 2007 Feb 04; 63(Pt 1):49-55. PubMed ID: 17235193
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  • 14. Revisiting the charge density analysis of 2,5-dichloro-1,4-benzoquinone at 20 K.
    Chua Z, Zarychta B, Gianopoulos CG, Zhurov VV, Pinkerton AA.
    Acta Crystallogr B Struct Sci Cryst Eng Mater; 2017 Aug 01; 73(Pt 4):654-659. PubMed ID: 28762975
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  • 16. Transferable Hirshfeld atom model for rapid evaluation of aspherical atomic form factors.
    Chodkiewicz M, Patrikeev L, Pawlędzio S, Woźniak K.
    IUCrJ; 2024 Mar 01; 11(Pt 2):249-259. PubMed ID: 38446457
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  • 18. Towards the best model for H atoms in experimental charge-density refinement.
    Hoser AA, Dominiak PM, Woźniak K.
    Acta Crystallogr A; 2009 Jul 01; 65(Pt 4):300-11. PubMed ID: 19535851
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  • 19. Transferability of atomic multipoles in amino acids and peptides for various density partitions.
    Woińska M, Dominiak PM.
    J Phys Chem A; 2013 Feb 21; 117(7):1535-47. PubMed ID: 21942712
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  • 20. Charge densities in actinide compounds: strategies for data reduction and model building.
    Gianopoulos CG, Zhurov VV, Pinkerton AA.
    IUCrJ; 2019 Sep 01; 6(Pt 5):895-908. PubMed ID: 31576222
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