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Ebook Absolute and chemical electronegativity and hardness

Chia sẻ: Cố Duật Thành | Ngày: | Loại File: PDF | Số trang:101

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In ebook "Absolute and chemical electronegativity and hardness" systematic formulations of absolute and chemical electronegativity and hardness are analysed among the local and non-local electronic density contributions in the frame of density functional theory. It is analytically proved that in all proposed cases can be founded the proper conditions within the absolute and chemical formulations to equalise. There appears that a new variational concept and term named as chemical action plays the unifying role among the quantum fluctuations of electronegativity and hardness at whatever level of atomic and molecular structural information.

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