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Journal Abstract Search

272 related items for PubMed ID: 17960919

  • 1. Role of charge transfer interaction and conjugation length on electrical polarizability of doped trans-polyacetylene oligomers.
    Sen S, Chakrabarti S.
    J Phys Chem A; 2007 Nov 22; 111(46):11867-72. PubMed ID: 17960919
    [Abstract] [Full Text] [Related]

  • 2. A physical model for the longitudinal polarizabilities of polymer chains.
    Berger JA, de Boeij PL, van Leeuwen R.
    J Chem Phys; 2005 Nov 01; 123(17):174910. PubMed ID: 16375572
    [Abstract] [Full Text] [Related]

  • 3. Correlation induced insulator to metal transition: a systematic density functional study on highly doped n-type trans-polyacetylene.
    Sen S, Chakrabarti S.
    J Chem Phys; 2006 Jan 21; 124(3):034702. PubMed ID: 16438595
    [Abstract] [Full Text] [Related]

  • 4. 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
    [Abstract] [Full Text] [Related]

  • 5. Periodic Hartree-Fock and density functional theory calculations for Li-doped polyacetylene chains.
    Ramírez-Solís A, Zicovich-Wilson CM, Kirtman B.
    J Chem Phys; 2006 Jun 28; 124(24):244703. PubMed ID: 16821992
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  • 10. Intrachain electron transfer in conducting oligomers and polymers: the mixed valence approach.
    Lacroix JC, Chane-Ching KI, Maquère F, Maurel F.
    J Am Chem Soc; 2006 Jun 07; 128(22):7264-76. PubMed ID: 16734480
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  • 11. Electrostatic interaction schemes for evaluating the polarizability of silicon clusters.
    Guillaume M, Champagne B, Bégué D, Pouchan C.
    J Chem Phys; 2009 Apr 07; 130(13):134715. PubMed ID: 19355772
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  • 12. Static and dynamic coupled perturbed Hartree-Fock vibrational (hyper)polarizabilities of polyacetylene calculated by the finite field nuclear relaxation method.
    Lacivita V, Rérat M, Kirtman B, Orlando R, Ferrabone M, Dovesi R.
    J Chem Phys; 2012 Jul 07; 137(1):014103. PubMed ID: 22779633
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  • 14. Polarizability and second hyperpolarizability evaluation of long molecules by the density functional theory with long-range correction.
    Sekino H, Maeda Y, Kamiya M, Hirao K.
    J Chem Phys; 2007 Jan 07; 126(1):014107. PubMed ID: 17212490
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  • 15. Electron correlation effects on the electric properties of fluorinated polyacetylene.
    Abreu LM, Fonseca TL, Castro MA.
    J Chem Phys; 2012 Jun 21; 136(23):234311. PubMed ID: 22779597
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  • 16. Feasibility of density functional methods to predict dielectric properties of polymers.
    Ruuska H, Arola E, Kannus K, Rantala TT, Valkealahti S.
    J Chem Phys; 2008 Feb 14; 128(6):064109. PubMed ID: 18282030
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  • 17. Static polarizability and second hyperpolarizability of closed- and open-shell pi-conjugated polymers.
    Hu W, Ma H, Liu C, Jiang Y.
    J Chem Phys; 2007 Jan 28; 126(4):044903. PubMed ID: 17286505
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  • 18. Polarons and charge carrier solvation on conjugated carbon chains: a comparative ab initio study.
    Mayo ML, Gartstein YN.
    J Phys Chem A; 2010 Jun 10; 114(22):6444-50. PubMed ID: 20481571
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  • 19. Anisotropic dipole polarizability of transition metal atoms: Sc(2D), Ti(3F,3P), V(4F,4P,6D), Ni(3F) and ions: Sc2+(2D), Ti2+(3F,3P).
    Kłos J.
    J Chem Phys; 2005 Jul 08; 123(2):24308. PubMed ID: 16050746
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  • 20. Ab initio study of stoichiometric gallium phosphide clusters.
    Kamal C, Ghanty TK, Banerjee A, Chakrabarti A.
    J Chem Phys; 2009 Jan 14; 130(2):024308. PubMed ID: 19154029
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