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Issue 9, 1972
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Non-empirical SCF calculations on hydrogen-like molecules: the effect of nuclear charge on binding energy and bond length

Abstract

Non-empirical calculations on hydrogen-like molecules with nuclear charges different from unity lead to a derivation of Pauling's relationship between bond energy and electronegativity differences; they also show that a bond may be strengthened by effective positive charges on adjacent nuclei provided the charges are not too large.

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Article type: Paper
DOI: 10.1039/C39720000568
Citation: J. Chem. Soc., Chem. Commun., 1972,0, 568-569
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    Non-empirical SCF calculations on hydrogen-like molecules: the effect of nuclear charge on binding energy and bond length

    J. D. Dunitz and T. K. Ha, J. Chem. Soc., Chem. Commun., 1972, 0, 568
    DOI: 10.1039/C39720000568

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