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Journal Abstract Search

371 related items for PubMed ID: 19391590

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  • 2. A valence bond study of the dioxygen molecule.
    Su P, Song L, Wu W, Hiberty PC, Shaik S.
    J Comput Chem; 2007 Jan 15; 28(1):185-97. PubMed ID: 17061244
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  • 6. A VB/MM view of the identity S(N)2 valence-bond state correlation diagram in aqueous solution.
    Sharir-Ivry A, Shurki A.
    J Phys Chem A; 2008 Dec 18; 112(50):13157-63. PubMed ID: 18620378
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  • 8. Charge-shift bonding--a class of electron-pair bonds that emerges from valence bond theory and is supported by the electron localization function approach.
    Shaik S, Danovich D, Silvi B, Lauvergnat DL, Hiberty PC.
    Chemistry; 2005 Oct 21; 11(21):6358-71. PubMed ID: 16086335
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  • 9. VBSM: a solvation model based on valence bond theory.
    Su P, Wu W, Kelly CP, Cramer CJ, Truhlar DG.
    J Phys Chem A; 2008 Dec 18; 112(50):12761-8. PubMed ID: 18671376
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  • 10. Block-localized wavefunction (BLW) method at the density functional theory (DFT) level.
    Mo Y, Song L, Lin Y.
    J Phys Chem A; 2007 Aug 30; 111(34):8291-301. PubMed ID: 17655207
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  • 11. Is coulomb explosion a damaging mechanism for (125)IUdR?
    Pomplun E, Sutmann G.
    Int J Radiat Biol; 2004 Aug 30; 80(11-12):855-60. PubMed ID: 15764393
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  • 12. 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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  • 14. An efficient algorithm for energy gradients and orbital optimization in valence bond theory.
    Song L, Song J, Mo Y, Wu W.
    J Comput Chem; 2009 Feb 15; 30(3):399-406. PubMed ID: 18629879
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  • 19. The ground and excited states of polyenyl radicals C2n-1H2n + 1 (n = 2-13): a valence bond study.
    Luo Y, Song L, Wu W, Danovich D, Shaik S.
    Chemphyschem; 2004 Apr 19; 5(4):515-28. PubMed ID: 15139226
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