標(biāo)題: Titlebook: Chemical Hardness; K. D. Sen Book 1993 Springer-Verlag Berlin Heidelberg 1993 Dichtefunktionsmethode.Elektronegativit?t.atoms.cluster.dens [打印本頁(yè)] 作者: Definite 時(shí)間: 2025-3-21 16:46
書(shū)目名稱Chemical Hardness影響因子(影響力)
作者: Cerebrovascular 時(shí)間: 2025-3-21 23:56 作者: 無(wú)能力之人 時(shí)間: 2025-3-22 01:57 作者: cathartic 時(shí)間: 2025-3-22 07:50
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.作者: 痛苦一生 時(shí)間: 2025-3-22 09:07
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.作者: 古文字學(xué) 時(shí)間: 2025-3-22 16:26
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.作者: 古文字學(xué) 時(shí)間: 2025-3-22 18:01 作者: 血統(tǒng) 時(shí)間: 2025-3-23 00:44 作者: 畫(huà)布 時(shí)間: 2025-3-23 04:58
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作者: Complement 時(shí)間: 2025-3-23 06:56
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作者: 侵略者 時(shí)間: 2025-3-23 13:05 作者: obtuse 時(shí)間: 2025-3-23 15:09 作者: Decrepit 時(shí)間: 2025-3-23 19:10
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作者: Accommodation 時(shí)間: 2025-3-23 22:14 作者: 哺乳動(dòng)物 時(shí)間: 2025-3-24 04:54 作者: SENT 時(shí)間: 2025-3-24 09:38 作者: BARGE 時(shí)間: 2025-3-24 12:24
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作者: reject 時(shí)間: 2025-3-24 14:59 作者: Silent-Ischemia 時(shí)間: 2025-3-24 20:18
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 作者: 火車車輪 時(shí)間: 2025-3-25 01:14
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.作者: 后天習(xí)得 時(shí)間: 2025-3-25 04:35 作者: 上流社會(huì) 時(shí)間: 2025-3-25 07:37
0081-5993 Overview: 978-3-662-14961-4978-3-540-47442-5Series ISSN 0081-5993 Series E-ISSN 1616-8550 作者: 精美食品 時(shí)間: 2025-3-25 12:10
Probleme der Verhütung von Viruserkrankungenhe atomic hardness have not yet produced a consensus how much value such indices may possess for an experimental chemist. Possible applications emerging in this growing field of cooperation between the theory and the chemical practice are indicated.作者: Bph773 時(shí)間: 2025-3-25 19:21
Zusammenfassung der Diskussion,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.作者: GIBE 時(shí)間: 2025-3-25 20:57 作者: 障礙 時(shí)間: 2025-3-26 02:19
978-3-662-14961-4Springer-Verlag Berlin Heidelberg 1993作者: Coterminous 時(shí)間: 2025-3-26 06:38
Hardness indices for free and bonded atoms,he atomic hardness have not yet produced a consensus how much value such indices may possess for an experimental chemist. Possible applications emerging in this growing field of cooperation between the theory and the chemical practice are indicated.作者: 憎惡 時(shí)間: 2025-3-26 10:52 作者: UNT 時(shí)間: 2025-3-26 13:47 作者: 保全 時(shí)間: 2025-3-26 20:36
Probleme der Verhütung von Viruserkrankungenhe atomic hardness have not yet produced a consensus how much value such indices may possess for an experimental chemist. Possible applications emerging in this growing field of cooperation between the theory and the chemical practice are indicated.作者: 短程旅游 時(shí)間: 2025-3-26 22:07 作者: 悶熱 時(shí)間: 2025-3-27 02:49 作者: 把…比做 時(shí)間: 2025-3-27 08:27
The Growth of a Young Frontal Wave,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作者: 陳舊 時(shí)間: 2025-3-27 12:53
Aspects of Long-range Forecasting,arge sensitivities as reactivity indices, have been surveyed. The method, originating from the density functional theory, determines various hardnesses, softnesses and the Fukui function indices (global and regional), from the corresponding canonical hardness tensor (or kernel), via the electronegat作者: 不溶解 時(shí)間: 2025-3-27 13:46
The Growth of a Young Frontal Wave,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 作者: DOLT 時(shí)間: 2025-3-27 18:45 作者: CLOWN 時(shí)間: 2025-3-27 23:47 作者: mosque 時(shí)間: 2025-3-28 05:13
,Untersuchungen über das Burkitt-Lymphom,A brief account is given of the origin and early development of the idea of hardness, introduced to chemistry as hard and soft Lewis acids and bases. There is also a discussion of the merging of this early view of hardness with the modern definition, based on density functional theory.作者: 傷心 時(shí)間: 2025-3-28 09:16
https://doi.org/10.1007/978-3-642-87938-8The ideas of chemical hardness and chemical softness are reviewed, with special emphasis on the research work done on these concepts at the University of North Carolina at Chapel Hill.作者: Adj異類的 時(shí)間: 2025-3-28 12:18 作者: insipid 時(shí)間: 2025-3-28 17:46 作者: BULLY 時(shí)間: 2025-3-28 20:36 作者: cogent 時(shí)間: 2025-3-29 00:26 作者: Pathogen 時(shí)間: 2025-3-29 05:34
