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Journal Abstract Search

429 related items for PubMed ID: 20380369

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  • 2. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B, Botek E, Nakano M, Nitta T, Yamaguchi K.
    J Chem Phys; 2005 Mar 15; 122(11):114315. PubMed ID: 15839724
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  • 4. Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity.
    Teale AM, De Proft F, Tozer DJ.
    J Chem Phys; 2008 Jul 28; 129(4):044110. PubMed ID: 18681637
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  • 10. Theoretical study on the excess electron binding mechanism in the [CH(3)NO(2).(H(2)O)(n)](-) (n = 1-6) anion clusters.
    Motegi H, Takayanagi T, Tsuneda T, Yagi K, Nakanishi R, Nagata T.
    J Phys Chem A; 2010 Sep 02; 114(34):8939-47. PubMed ID: 20681536
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  • 11. The limitations of Slater's element-dependent exchange functional from analytic density-functional theory.
    Zope RR, Dunlap BI.
    J Chem Phys; 2006 Jan 28; 124(4):044107. PubMed ID: 16460149
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  • 12. Quantum molecular mechanics-a noniterative procedure for the fast ab Initio calculation of closed shell systems.
    Moura GL, Simas AM.
    J Comput Chem; 2012 Apr 05; 33(9):958-69. PubMed ID: 22318858
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  • 16. Electric dipole (hyper)polarizabilities of selected X2Y2 and X3Y3 (X = Al, Ga, In and Y = P, As): III-V semiconductor clusters. An ab initio comparative study.
    Karamanis P, Pouchan C, Leszczynski J.
    J Phys Chem A; 2008 Dec 25; 112(51):13662-71. PubMed ID: 19093824
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  • 19. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC, Li AH, Chao SD.
    J Phys Chem A; 2007 Nov 22; 111(46):11922-9. PubMed ID: 17963367
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