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

侵略者

obtuse

Decrepit

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

哺乳動(dòng)物

SENT

BARGE

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

Silent-Ischemia

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

火車車輪

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.