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CHARGE SENSITIVITY APPROACH TO ELECTRONIC STRUCTURE AND CHEMICAL REACTIVITY
Av Roman F Nalewajski, Jacek Korchowiec
Inbunden, 1997
2190 kr
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Charge Sensitivity Analysis (CSA) represents a linear response treatment of molecular systems, based upon the chemical potential and hardness/softness concepts established within density functional theory (DFT). Recently, it has been shown to provide an attractive framework leading to novel …