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Journal Abstract Search

1327 related items for PubMed ID: 19655831

  • 21.
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  • 22. 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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  • 25. Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: implications for charge transfer.
    Chelli R, Pagliai M, Procacci P, Cardini G, Schettino V.
    J Chem Phys; 2005 Feb 15; 122(7):074504. PubMed ID: 15743251
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  • 27. Dipole moments from atomic-number-dependent potentials in analytic density-functional theory.
    Dunlap BI, Karna SP, Zope RR.
    J Chem Phys; 2006 Dec 07; 125(21):214104. PubMed ID: 17166012
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  • 29. Improvement of semiempirical response properties with charge-dependent response density.
    Giese TJ, York DM.
    J Chem Phys; 2005 Oct 22; 123(16):164108. PubMed ID: 16268682
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  • 30. ACKS2: atom-condensed Kohn-Sham DFT approximated to second order.
    Verstraelen T, Ayers PW, Van Speybroeck V, Waroquier M.
    J Chem Phys; 2013 Feb 21; 138(7):074108. PubMed ID: 23444998
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  • 31.
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  • 32. Symmetry-adapted-cluster configuration interaction study of the doublet states of HCl+: potential energy curves, dipole moments, and transition dipole moments.
    Gurin VS, Korolkov MV, Matulis VE, Rakhmanov SK.
    J Chem Phys; 2007 Mar 28; 126(12):124321. PubMed ID: 17411137
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  • 35. 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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  • 36.
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  • 37. Correlations of the stability, static dipole polarizabilities, and electronic properties of yttrium clusters.
    Li XB, Wang HY, Lv R, Wu WD, Luo JS, Tang YJ.
    J Phys Chem A; 2009 Sep 24; 113(38):10335-42. PubMed ID: 19722531
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  • 38. The electronegativity equalization method fused with molecular mechanics: a fluctuating charge and flexible body potential function for [Emim][Gly] ionic liquids.
    Wu Y, Li Y, Hu N, Hong M.
    Phys Chem Chem Phys; 2014 Feb 14; 16(6):2674-85. PubMed ID: 24382460
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  • 39.
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  • 40. Topological analysis of the electronic charge density in the ethene protonation reaction catalyzed by acidic zeolite.
    Zalazar MF, Peruchena NM.
    J Phys Chem A; 2007 Aug 16; 111(32):7848-59. PubMed ID: 17658733
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