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note
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N) of over twenty common organic polyatomic compounds were calculated and all are non-negative. Possibly this is due to the predominant presence of hydrogen and first row atoms where the contribution of ρ(r)1n ρ(r) is mainly negative.
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more..
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47
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11744358344
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Obtianed from R. F. W. Bader, McMaster University, Hamilton, ON, Canada
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Obtianed from R. F. W. Bader, McMaster University, Hamilton, ON, Canada.
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