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Volumn 99, Issue 15, 1977, Pages 4875-4894

A General Analysis of Noncovalent Intermolecular Interactions

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EID: 33847088980     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00457a002     Document Type: Article
Times cited : (279)

References (71)
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    • (1971)
    • Margenau, H.1    Kestner, N.R.2
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    • These authors find that dispersion corrections decrease θ of F2-F2 to ~10°
    • H. Umeyama, K. Morokuma, and S. Yamabe, J. Am. Chem. Soc., 99, 330 (1977). These authors find that dispersion corrections decrease θ of F2-F2 to ~10°.
    • (1977) J. Am. Chem. Soc. , vol.99 , pp. 330
    • Umeyama, H.1    Morokuma, K.2    Yamabe, S.3
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    • Inorganic Chemistry
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    • (1972)
    • Cotton, F.A.1    Wilkinson, G.2
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    • see also G. Ewing, Acc. Chem. Res., 8, 185 (1975).
    • C. A. Long and G. E. Ewing, J. Chem. Phys., 58, 4854 (1973); see also G. Ewing, Acc. Chem. Res., 8, 185 (1975).
    • (1973) J. Chem. Phys. , vol.58 , pp. 4854
    • Long, C.A.1    Ewing, G.E.2
  • 44
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    • Klemperer, talk presented at the Symposium on Molecular Spectroscopy, Columbus
    • June
    • W. Klemperer, talk presented at the Symposium on Molecular Spectroscopy, Columbus, Ohio, June 1976.
    • (1976) Ohio
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    • Assuming C2v symmetry as found by P. A. Kollman and I. D. Kuntz, J. Am. Chem. Soc
    • Assuming C2v symmetry as found by P. A. Kollman and I. D. Kuntz, J. Am. Chem. Soc., 94, 9236 (1972).
    • (1972) , vol.94 , pp. 9236
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    • Electronic Spectra of Polyatomic Molecules
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    • See, however, ref 48 and these authors have noted that the use of experimental geometries for monomers tends to lead to an overestimate of the dimerization energy. This effect is expected to be more severe for a minimal basis than the double ζ basis used here, but we do not expect that it will have a substantial effect for comparison of a series of similar complexes.
    • See, however, ref 48 and J. Del Bene, J. Chem. Phys., 62, 1961 (1975); these authors have noted that the use of experimental geometries for monomers tends to lead to an overestimate of the dimerization energy. This effect is expected to be more severe for a minimal basis than the double ζ basis used here, but we do not expect that it will have a substantial effect for comparison of a series of similar complexes.
    • (1975) J. Chem. Phys. , vol.62 , pp. 1961
    • Del Bene, J.1


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