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- W2023463178 abstract "The concept of the relaxed Fukui function indices at ‘atoms in molecules’ resolution is introduced for a general partition of a molecular system into closed subsystems and the corresponding combination formulae are derived. It is shown that for such defined quantities the charge transfer energy does not depend on the way the system reaches equilibrium. Finally, some illustrative examples comparing rigid and relaxed Fukui function indices are presented." @default.
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- W2023463178 date "1994-05-01" @default.
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- W2023463178 title "Relaxed Fukui function indices and their application to chemical reactivity problems" @default.
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- W2023463178 doi "https://doi.org/10.1016/0009-2614(94)00319-x" @default.
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