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Volumn 114, Issue 33, 2010, Pages 8573-8580

Erratum: Valence bond structures for three-electron three-center and four-electron three-center bonding units: Some further examples (Journal of Physical Chemistry A (2010) 114 DOI:10.1021/jp911294x);Valence bond structures for three-electron three-center and four-electron three-center bonding units: Some further examples

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; EXCITED STATES; MOLECULAR GRAPHICS; MOLECULAR ORBITALS;

EID: 79959194116     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1039145     Document Type: Erratum
Times cited : (7)

References (49)
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    • for a similar approach to nucleophilic substitution reactions and corrections for the 1991 paper
    • (See also: Harcourt, R. D. J. Mol. Struct: THEOCHEM 1992, 253, 363 for a similar approach to nucleophilic substitution reactions and corrections for the 1991 paper.)
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    • Harcourt, R.D.1
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    • and refs 55 and 56 therein
    • Bachler, V. Theor. Chem. Ace. 1997, 96, 223, and refs 55 and 56 therein.
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    • Bachler, V.1
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    • The theory in this Erratum replaces that provided
    • The theory in this Erratum replaces that provided in Harcourt, R. D. J. Mol. Struct.: THEOCHEM 2009, 897, 83.
    • (2009) J. Mol. Struct.: THEOCHEM , vol.897 , pp. 83
    • Harcourt, R.D.1
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    • See also: (On p. 81, change -2.9066 a.u. to -2.9063 a.u.)
    • See also: Harcourt, R. D. Trends Phys. Chem. 2006, 11, 79. (On p. 81, change -2.9066 a.u. to -2.9063 a.u.).
    • (2006) Trends Phys. Chem. , vol.11 , pp. 79
    • Harcourt, R.D.1
  • 22
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    • Faraday Trans. 2 when X and Y are equivalent atoms. For non-equivalent atoms, five variational parameters are needed, and these can be chosen as k' = k′, k″ = k″, l, λ, and ρ, for example
    • Harcourt, R. D.; Harcourt, A. G. J. Chem. Soc., Faraday Trans. 2 1974, 70, 743. when X and Y are equivalent atoms. For non-equivalent atoms, five variational parameters are needed, and these can be chosen as k' = k′, k″ = k″, l, λ, and ρ, for example.
    • (1974) J. Chem. Soc. , vol.70 , pp. 743
    • Harcourt, R.D.1    Harcourt, A.G.2
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    • The electronic structures of electron-rich molecules
    • Springer-Verlag: Heidelberg, Germany, A 2003 update is available from the author
    • (a) Harcourt, R. D. The Electronic Structures of Electron-Rich Molecules; The Pauling "3-Electron Bond" and "Increased-Valence" Theory. Springer-Verlag: Heidelberg, Germany, 1982; Vol. 30. A 2003 update is available from the author,
    • (1982) The Pauling "3-Electron Bond" and "Increased-Valence" Theory. , vol.30
    • Harcourt, R.D.1
  • 25
    • 0038834682 scopus 로고    scopus 로고
    • 3rd ed.; Riedel, E., Ed.; de Gruyter: Berlin, Germany, has provided numerous examples of increased-valence structures for four-electron three-center bonding units in particular
    • (b) Klapötke, T. M. In Moderne Anorganische Chemie, 3rd ed.; Riedel, E., Ed.; de Gruyter: Berlin, Germany, 2007 has provided numerous examples of increased-valence structures for four-electron three-center bonding units in particular.
    • (2007) Moderne Anorganische Chemie
    • Klapötke, T.M.1
  • 27
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    • the expanded valence shell structure X-R-Y with a truly divalent R-atom was also included in the calculations
    • Polo, V.; Gonzales-Navarrete, P.; Silvi, B.; Andres, J. Theor. Chem. Ace. 2008, 120, 341; the expanded valence shell structure X-R-Y with a truly divalent R-atom was also included in the calculations.
    • (2008) Theor. Chem. Ace. , vol.120 , pp. 341
    • Polo, V.1    Gonzales-Navarrete, P.2    Silvi, B.3    Andres, J.4
  • 33
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    • and references therein. It is noted that four-electron three-center as well as threeelectron three-center bonding units arise in the addition of acyl and silyl radicals to numerous π-systems;
    • Pierrefixe, S. C. A. H.; van Straten, S. J. M.; van Straten, J. N. P.; Fonseca Guerra, C.; Bickelhaupt, F. M. Angew. Chem., Int. Ed. 2009, 48, 6469, and references therein. It is noted that four-electron three-center as well as threeelectron three-center bonding units arise in the addition of acyl and silyl radicals to numerous π-systems;
    • (2009) Angew. Chem., Int. Ed , vol.48 , pp. 6469
    • Pierrefixe, S.C.A.H.1    Van Straten, S.J.M.2    Van Straten, J.N.P.3    Fonseca Guerra, C.4    Bickelhaupt, F.M.5
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    • ry)
    • ry).
  • 45
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    • For twoelectron three-center and revised four-electron three-center theory of valence, with ZDO assumed
    • Harcourt, R. D. J. Mol. Struct.: THEOCHEM 2003, 634, 265. For twoelectron three-center and revised four-electron three-center theory of valence, with ZDO assumed,
    • (2003) J. Mol. Struct.: THEOCHEM , vol.634 , pp. 265
    • Harcourt, R.D.1


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