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Journal Abstract Search

201 related items for PubMed ID: 15479111

  • 21. VBSCF calculations on the bimolecular (E2) elimination reaction. The nature of the transition state.
    Wu W, Shaik S, Saunders WH.
    J Org Chem; 2010 Jun 04; 75(11):3722-8. PubMed ID: 20465312
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  • 22. Hydrogen-abstraction reactivity patterns from A to Y: the valence bond way.
    Lai W, Li C, Chen H, Shaik S.
    Angew Chem Int Ed Engl; 2012 Jun 04; 51(23):5556-78. PubMed ID: 22566272
    [Abstract] [Full Text] [Related]

  • 23. Model studies of hydrogen atom addition and abstraction processes involving ortho-, meta-, and para-benzynes.
    Clark AE, Davidson ER.
    J Am Chem Soc; 2001 Oct 31; 123(43):10691-8. PubMed ID: 11674001
    [Abstract] [Full Text] [Related]

  • 24. A valence bond study of the low-lying states of the NF molecule.
    Su P, Wu W, Shaik S, Hiberty PC.
    Chemphyschem; 2008 Jul 14; 9(10):1442-52. PubMed ID: 18509836
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  • 26. VB/MM--the validity of the underlying approximations.
    Sharir-Ivry A, Shurki A.
    J Phys Chem B; 2008 Oct 02; 112(39):12491-7. PubMed ID: 18767792
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  • 27. Valence-bond/coherent-states approach to the charge equilibration model I. Valence-bond models for diatomic molecules.
    Morales JA.
    J Phys Chem A; 2009 May 21; 113(20):6004-15. PubMed ID: 19391590
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  • 31. Multireference configuration interaction calculations for the F(2P)+HCl-->HF+Cl(2P) reaction: a correlation scaled ground state (1 2A') potential energy surface.
    Deskevich MP, Hayes MY, Takahashi K, Skodje RT, Nesbitt DJ.
    J Chem Phys; 2006 Jun 14; 124(22):224303. PubMed ID: 16784270
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  • 33. Valence bond approach of metal-ligand bonding in the Dewar-Chatt-Duncanson model.
    Linares M, Braida B, Humbel S.
    Inorg Chem; 2007 Dec 24; 46(26):11390-6. PubMed ID: 18044956
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  • 35. 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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  • 38. Potential energy surface and product branching ratios for the reaction of dicarbon, C(2)(X(1)Sigma(g)(+)), with methylacetylene, CH(3)CCH(X(1)A(1)): an ab initio/RRKM study.
    Mebel AM, Kislov VV, Kaiser RI.
    J Phys Chem A; 2006 Feb 23; 110(7):2421-33. PubMed ID: 16480301
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  • 39. Ab initio study on the kinetics of hydrogen abstraction for the H+alkene-->H2+alkenyl reaction class.
    Huynh LK, Panasewicz S, Ratkiewicz A, Truong TN.
    J Phys Chem A; 2007 Mar 22; 111(11):2156-65. PubMed ID: 17388295
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