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Journal Abstract Search

399 related items for PubMed ID: 23165601

  • 1.
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  • 2. Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopentanedione, a compound displaying a resonance-assisted hydrogen bond.
    Nassour A, Kubicki M, Wright J, Borowiak T, Dutkiewicz G, Lecomte C, Jelsch C.
    Acta Crystallogr B Struct Sci Cryst Eng Mater; 2014 Apr; 70(Pt 2):197-211. PubMed ID: 24675589
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  • 4. Charge density and electrostatic potential analyses in paracetamol.
    Bouhmaida N, Bonhomme F, Guillot B, Jelsch C, Ghermani NE.
    Acta Crystallogr B; 2009 Jun; 65(Pt 3):363-74. PubMed ID: 19461147
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  • 5. Intermolecular interactions, charge-density distribution and the electrostatic properties of pyrazinamide anti-TB drug molecule: an experimental and theoretical charge-density study.
    Rajalakshmi G, Hathwar VR, Kumaradhas P.
    Acta Crystallogr B Struct Sci Cryst Eng Mater; 2014 Jun; 70(Pt 3):568-79. PubMed ID: 24892603
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  • 6. Experimental and theoretical charge density distribution in a host-guest system: synthetic terephthaloyl receptor complexed to adipic acid.
    Nguyen TH, Howard ST, Hanrahan JR, Groundwater PW, Platts JA, Hibbs DE.
    J Phys Chem A; 2012 Jun 14; 116(23):5618-28. PubMed ID: 22548484
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  • 8. Is it possible to derive quantitative information on polarization of electron density from the multipolar model?
    Bąk JM, Czyżnikowska Z, Dominiak PM.
    Acta Crystallogr A; 2012 Nov 14; 68(Pt 6):705-14. PubMed ID: 23075613
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  • 9. 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 14; 63(Pt 2):108-25. PubMed ID: 17301471
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  • 11. Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis.
    Munshi P, Guru Row TN.
    Acta Crystallogr B; 2006 Aug 14; 62(Pt 4):612-26. PubMed ID: 16840811
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  • 13. Atomic dipole polarization in charge-transfer complexes with halogen bonding.
    Bartashevich EV, Tsirelson VG.
    Phys Chem Chem Phys; 2013 Feb 21; 15(7):2530-8. PubMed ID: 23322002
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  • 15. Experimental electron density study of a complex between copper(II) and the antibacterial quinolone family member ciprofloxacin.
    Overgaard J, Turel I, Hibbs DE.
    Dalton Trans; 2007 Jun 07; (21):2171-8. PubMed ID: 17514338
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  • 17. Advancing beyond charge analysis using the electronic localization function: Chemically intuitive distribution of electrostatic moments.
    Pilmé J, Piquemal JP.
    J Comput Chem; 2008 Jul 15; 29(9):1440-9. PubMed ID: 18293309
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  • 18. Periodic projector augmented wave density functional calculations on the hexachlorobenzene crystal and comparison with the experimental multipolar charge density model.
    Aubert E, Lebègue S, Marsman M, Bui TT, Jelsch C, Dahaoui S, Espinosa E, Angyán JG.
    J Phys Chem A; 2011 Dec 22; 115(50):14484-94. PubMed ID: 22040091
    [Abstract] [Full Text] [Related]

  • 19. 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
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