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Journal Abstract Search

205 related items for PubMed ID: 19228050

  • 1. Physical understanding through variational reasoning: electron sharing and covalent bonding.
    Ruedenberg K, Schmidt MW.
    J Phys Chem A; 2009 Mar 12; 113(10):1954-68. PubMed ID: 19228050
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  • 2. Why does electron sharing lead to covalent bonding? A variational analysis.
    Ruedenberg K, Schmidt MW.
    J Comput Chem; 2007 Jan 15; 28(1):391-410. PubMed ID: 17143869
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  • 4. Electronic structure of linear thiophenolate-bridged heteronuclear complexes [LFeMFeL](n)(+) (M = Cr, Co, Fe; n = 1-3): a combination of kinetic exchange interaction and electron delocalization.
    Chibotaru LF, Girerd JJ, Blondin G, Glaser T, Wieghardt K.
    J Am Chem Soc; 2003 Oct 15; 125(41):12615-30. PubMed ID: 14531706
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  • 5. Toward a physical understanding of electron-sharing two-center bonds. I. General aspects.
    Bitter T, Ruedenberg K, Schwarz WH.
    J Comput Chem; 2007 Jan 15; 28(1):411-22. PubMed ID: 17143871
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  • 6. Bond breaking and bond making in tetraoxygen: analysis of the O2(X3Sigma(g)-) + O2(X3Sigma(g)-) <==> O4 reaction using the electron pair localization function.
    Scemama A, Caffarel M, Ramírez-Solís A.
    J Phys Chem A; 2009 Aug 06; 113(31):9014-21. PubMed ID: 19719306
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  • 7. The nature of the chemical bond revisited: an energy-partitioning analysis of nonpolar bonds.
    Kovács A, Esterhuysen C, Frenking G.
    Chemistry; 2005 Mar 04; 11(6):1813-25. PubMed ID: 15672434
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  • 8. Accurate calculation and modeling of the adiabatic connection in density functional theory.
    Teale AM, Coriani S, Helgaker T.
    J Chem Phys; 2010 Apr 28; 132(16):164115. PubMed ID: 20441266
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  • 9. Local effective potential theory: nonuniqueness of potential and wave function.
    Sahni V, Slamet M, Pan XY.
    J Chem Phys; 2007 May 28; 126(20):204106. PubMed ID: 17552753
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  • 10. Linear M[triple bond]E-Me versus bent M-E-Me: bonding analysis in heavier metal-ylidyne complexes [(Cp)(CO)2M[triple bond]EMe] and metallo-ylidenes [(Cp)(CO)3M-EMe] (M = Cr, Mo, W; E = Si, Ge, Sn, Pb).
    Pandey KK, Lledós A.
    Inorg Chem; 2009 Apr 06; 48(7):2748-59. PubMed ID: 19256519
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  • 11. Ab initio potential energy curve of F2. IV. Transition from the covalent to the van der Waals region: competition between multipolar and correlation forces.
    Bytautas L, Ruedenberg K.
    J Chem Phys; 2009 May 28; 130(20):204101. PubMed ID: 19485431
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  • 12. CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule.
    Barletta P, Shirin SV, Zobov NF, Polyansky OL, Tennyson J, Valeev EF, Császár AG.
    J Chem Phys; 2006 Nov 28; 125(20):204307. PubMed ID: 17144700
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  • 13. Polarization and bonding of the intrinsic characteristic contours of hydrogen and fluorine atoms of forming a hydrogen fluoride molecule based on an ab initio study.
    Yang ZZ, Zhao DX, Wu Y.
    J Chem Phys; 2004 Aug 22; 121(8):3452-62. PubMed ID: 15303909
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  • 14. Simultaneous analytical optimization of variational parameters in Gaussian-type functions with full configuration interaction of multicomponent molecular orbital method by elimination of translational and rotational motions: application to isotopomers of the hydrogen molecule.
    Ishimoto T, Tachikawa M, Nagashima U.
    J Chem Phys; 2008 Apr 28; 128(16):164118. PubMed ID: 18447432
    [Abstract] [Full Text] [Related]

  • 15. Experimental and theoretical study of the photodissociation reaction of thiophenol at 243 nm: intramolecular orbital alignment of the phenylthiyl radical.
    Lim IS, Lim JS, Lee YS, Kim SK.
    J Chem Phys; 2007 Jan 21; 126(3):034306. PubMed ID: 17249870
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  • 18. 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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