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

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發(fā)表于 2025-3-21 16:46:48 | 只看該作者 |倒序?yàn)g覽 |閱讀模式
書目名稱Chemical Hardness
編輯K. D. Sen
視頻videohttp://file.papertrans.cn/225/224343/224343.mp4
叢書名稱Structure and Bonding
圖書封面Titlebook: Chemical Hardness;  K. D. Sen Book 1993 Springer-Verlag Berlin Heidelberg 1993 Dichtefunktionsmethode.Elektronegativit?t.atoms.cluster.dens
出版日期Book 1993
關(guān)鍵詞Dichtefunktionsmethode; Elektronegativit?t; 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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沙發(fā)
發(fā)表于 2025-3-21 23:56:33 | 只看該作者
板凳
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地板
發(fā)表于 2025-3-22 07:50:15 | 只看該作者
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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發(fā)表于 2025-3-22 09:07:21 | 只看該作者
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.
6#
發(fā)表于 2025-3-22 16:26:18 | 只看該作者
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.
7#
發(fā)表于 2025-3-22 18:01:19 | 只看該作者
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發(fā)表于 2025-3-23 00:44:13 | 只看該作者
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發(fā)表于 2025-3-23 04:58:37 | 只看該作者
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
10#
發(fā)表于 2025-3-23 06:56:31 | 只看該作者
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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