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Titlebook: Chemical Hardness; K. D. Sen Book 1993 Springer-Verlag Berlin Heidelberg 1993 Dichtefunktionsmethode.Elektronegativität.atoms.cluster.dens

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发表于 2025-3-21 16:46:48 | 显示全部楼层 |阅读模式
书目名称Chemical Hardness
编辑K. D. Sen
视频video
丛书名称Structure and Bonding
图书封面Titlebook: Chemical Hardness;  K. D. Sen Book 1993 Springer-Verlag Berlin Heidelberg 1993 Dichtefunktionsmethode.Elektronegativität.atoms.cluster.dens
出版日期Book 1993
关键词Dichtefunktionsmethode; Elektronegativität; atoms; cluster; density; density functional theory; electron; e
版次1
doihttps://doi.org/10.1007/BFb0036795
isbn_softcover978-3-662-14961-4
isbn_ebook978-3-540-47442-5Series ISSN 0081-5993 Series E-ISSN 1616-8550
issn_series 0081-5993
copyrightSpringer-Verlag Berlin Heidelberg 1993
The information of publication is updating

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书目名称Chemical Hardness被引频次




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书目名称Chemical Hardness读者反馈学科排名




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The Growth of a Young Frontal Wave,nd heterogeneous catalysis. From the theory, general rules addressing hardness/softness-structure-reactivity relationships are formulated. These provide the experimental chemist with guidelines to understand and predict the properties of materials and their role in perturbing and activating adsorbed molecules.
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The ground-state energy of atomic and molecular ions and its variation with the number of electronsgral values of N, these derivatives then being related to the chemical concepts of electronegativity and hardness respectively. The generalization to diatomic molecular ions is also briefly discussed.
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The EEM approach to chemical hardness in molecules and solids: Fundamentals and applications,nd heterogeneous catalysis. From the theory, general rules addressing hardness/softness-structure-reactivity relationships are formulated. These provide the experimental chemist with guidelines to understand and predict the properties of materials and their role in perturbing and activating adsorbed molecules.
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Charge capacities and shell structures of atoms, volume. The computed populations, radii and volumes of all of the shells are presented for the atoms Li-Xe, as well as the magnitudes of Ī(r) at all shell boundaries. Good correlations exist between atomic polarizability, Ī(r.), к and outer shell electron density. It is suggested that Ī(r) can be u
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The hardness based molecular charge sensitivities and their use in the theory of chemical reactivitlternative partial hardness decoupling schemes for reactive systems are examined. Illustrative applications of the CSA are presented at both qualitative [Hard (Soft) Acids and Bases principles, . influence of ligands] and quantitative [reactivity trends in selected organic and catalytic systems] lev
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