Convergence from cluster to surface:ab initio calculations of Pd_n clusters

来源 :中国科学:化学英文版 | 被引量 : 0次 | 上传用户:baikubk258
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
The"Metallic State Principle"and a way to constitute the metallic basis set are proposed,the latter is a modification of atomic basis set based on the free electron theory in solid state physics.Pd_n dusters have been carefully studied by means
其他文献
A new equation of state is derived from the Barker-Henderson hard-sphere perturbation theory. It has the form similar to the Martin-Hou equation of state. The n
The o-aminophenol (OAP)-H<sub>2</sub>O<sub>2</sub>-horseradish peroxidase (HRP) voltammetric enzyme-linked immunoassay new system has extremely high sensitivity. HR
A series of square planar cis-dicarbonyl polymer coordinated rhodium complexes with uncoordinated donors near the central rhodium atoms for carbonylation of met
The phase transformations in ultrahigh molecular weight polyethylene(UHMWPE)gel-filmsupon superdrawing have been studied by X-ray diffraction and high resolution
A-nor-Δ3(5),9(10)-estradiene-2,17-dione 1,a potential precursor for synthesis of some new steroidalcontraceptives,was synthesized from 3β-hydroxy-5α-chloro-6
Information about the exact location of topological and cohesional entanglements at molecular level has been obtained by 13C NMR relaxation analysis. The result
A dynamical Lie algebraic method has been applied to treating the quantum dynamics of dissociative adsorption of H<sub>2</sub> on a static flat metal surface. A
Aggregation behavior of two amphiphilic D-π-A molecules bearing barbituric acid as both recogniton group and electron-drawing substituent , 5-(4-dodecyl oxyben
A new easy method has been presented to calculate the variable intervals corresponding to the stable univariant curves and to discriminate the stabilities of in