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Journal Abstract Search

348 related items for PubMed ID: 17143871

  • 1. 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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  • 2. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
    Glover WJ, Larsen RE, Schwartz BJ.
    J Chem Phys; 2008 Oct 28; 129(16):164505. PubMed ID: 19045282
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  • 3. Topology of electron charge density for chemical bonds from valence bond theory: a probe of bonding types.
    Zhang L, Ying F, Wu W, Hiberty PC, Shaik S.
    Chemistry; 2009 Oct 28; 15(12):2979-89. PubMed ID: 19191241
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  • 9. An excursion from normal to inverted C-C bonds shows a clear demarcation between covalent and charge-shift C-C bonds.
    Shaik S, Chen Z, Wu W, Stanger A, Danovich D, Hiberty PC.
    Chemphyschem; 2009 Oct 19; 10(15):2658-69. PubMed ID: 19823998
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  • 10. The experimental and theoretical QTAIMC study of the atomic and molecular interactions in dinitrogen tetroxide.
    Tsirelson VG, Shishkina AV, Stash AI, Parsons S.
    Acta Crystallogr B; 2009 Oct 19; 65(Pt 5):647-58. PubMed ID: 19767687
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  • 13. 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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  • 14. View of lone electron pairs and their role in structural chemistry.
    Brown ID.
    J Phys Chem A; 2011 Nov 17; 115(45):12638-45. PubMed ID: 21714559
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  • 16. Going beyond the frozen core approximation: development of coordinate-dependent pseudopotentials and application to Na2(+).
    Kahros A, Schwartz BJ.
    J Chem Phys; 2013 Feb 07; 138(5):054110. PubMed ID: 23406101
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  • 20. Electronic structure of the acetonitrile and acetonitrile dimer anions: a topological investigation.
    Timerghazin QK, Peslherbe GH.
    J Phys Chem B; 2008 Jan 17; 112(2):520-8. PubMed ID: 18154288
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