侵略者
发表于 2025-3-23 13:05:15
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obtuse
发表于 2025-3-23 15:09:44
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Decrepit
发表于 2025-3-23 19:10:54
Hardness and softness in density functional theory,a set of hardness and softness functions that are hierarchized as non-local, local and global quantities. Through these definitions it is shown that under conditions of constant chemical potential, the interaction between two chemical systems evolves towards a state of maximum hardness, and that sof
Accommodation
发表于 2025-3-23 22:14:31
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哺乳动物
发表于 2025-3-24 04:54:44
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SENT
发表于 2025-3-24 09:38:34
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BARGE
发表于 2025-3-24 12:24:21
Charge capacities and shell structures of atoms,atom‘s ability to accommodate a gain or loss of electronic charge in the process of forming a molecule. Estimated values of к are presented for the atoms Li-Xe. The overall trend is that as the inherent (neutral atom) electronegativity increases, к decreases. The shell structure of an atom can be di
reject
发表于 2025-3-24 14:59:23
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Silent-Ischemia
发表于 2025-3-24 20:18:56
The EEM approach to chemical hardness in molecules and solids: Fundamentals and applications,first and second order derivatives of the energy with respect to the number of electrons (N) and the external potential (v). Within this framework, various response properties of a system, as defined in the sensitivity analysis, can be evaluated. The method and its extensions are outlined, compared
火车车轮
发表于 2025-3-25 01:14:10
Hardness of metallic clusters,yze the variation of I and A with cluster size, for the case of simple metals. The behavior of I and A shows interesting size effects, which manifest themselves also in the behavior of the hardness. The chemical reactivity of metal clusters is sensitive to these size effects.