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Journal Abstract Search

176 related items for PubMed ID: 21817537

  • 1. An electrostatic interaction model for frequency-dependent polarizability: methodology and applications to hydrocarbons and fullerenes.
    Mayer A, Lambin P, Astrand PO.
    Nanotechnology; 2008 Jan 16; 19(2):025203. PubMed ID: 21817537
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  • 2. A charge-dipole model for the static polarizability of nanostructures including aliphatic, olephinic, and aromatic systems.
    Mayer A, Astrand PO.
    J Phys Chem A; 2008 Feb 14; 112(6):1277-85. PubMed ID: 18198848
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  • 5. Nonmetallic electronegativity equalization and point-dipole interaction model including exchange interactions for molecular dipole moments and polarizabilities.
    Smalø HS, Astrand PO, Jensen L.
    J Chem Phys; 2009 Jul 28; 131(4):044101. PubMed ID: 19655831
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  • 6. A periodic charge-dipole electrostatic model: parametrization for silver slabs.
    Bodrenko IV, Sierka M, Fabiano E, Della Sala F.
    J Chem Phys; 2012 Oct 07; 137(13):134702. PubMed ID: 23039605
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  • 7. Multi-layer coarse-graining polarization model for treating electrostatic interactions of solvated α-conotoxin peptides.
    Jiang N, Ma J.
    J Chem Phys; 2012 Apr 07; 136(13):134105. PubMed ID: 22482538
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  • 11. Redistributed charge and dipole schemes for combined quantum mechanical and molecular mechanical calculations.
    Lin H, Truhlar DG.
    J Phys Chem A; 2005 May 05; 109(17):3991-4004. PubMed ID: 16833721
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  • 12. Molecule-specific determination of atomic polarizabilities with the polarizable atomic multipole model.
    Woo Kim H, Rhee YM.
    J Comput Chem; 2012 Jul 30; 33(20):1662-72. PubMed ID: 22565616
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  • 13. Dye-tissue interactions: mechanisms, quantification and bonding parameters for dyes used in biological staining.
    Dapson RW.
    Biotech Histochem; 2005 Jul 30; 80(2):49-72. PubMed ID: 16195171
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  • 14. Theoretical analysis of the electronic properties of the sex pheromone and its analogue derivatives in the female processionary moth Thaumetopoea pytiocampa.
    Chamorro ER, Sequeira AF, Zalazar MF, Peruchena NM.
    Bioorg Med Chem; 2008 Sep 15; 16(18):8535-45. PubMed ID: 18752964
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  • 15. A generalization of the charge equilibration method for nonmetallic materials.
    Nistor RA, Polihronov JG, Müser MH, Mosey NJ.
    J Chem Phys; 2006 Sep 07; 125(9):094108. PubMed ID: 16965073
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  • 17. An atomic charge-charge flux-dipole flux atom-in-molecule decomposition for molecular dipole-moment derivatives and infrared fundamental intensities.
    Haiduke RL, Bruns RE.
    J Phys Chem A; 2005 Mar 24; 109(11):2680-8. PubMed ID: 16833574
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  • 18. Complex frequency-dependent polarizability through the π → π* excitation energy of azobenzene molecules by a combined charge-transfer and point-dipole interaction model.
    Haghdani S, Davari N, Sandnes R, Åstrand PO.
    J Phys Chem A; 2014 Nov 26; 118(47):11282-92. PubMed ID: 25356936
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  • 19. Bond order bond polarizability model for fullerene cages and nanotubes.
    Hu YH, Ruckenstein E.
    J Chem Phys; 2005 Dec 01; 123(21):214708. PubMed ID: 16356062
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  • 20. Hirshfeld-based intrinsic polarizability density representations as a tool to analyze molecular polarizability.
    Otero N, Van Alsenoy C, Pouchan C, Karamanis P.
    J Comput Chem; 2015 Sep 15; 36(24):1831-43. PubMed ID: 26193995
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