论文部分内容阅读
Charged Molecular Alloy Clusters [Pd2As14]4- and [Au2Sb14]4-:Chemical Bonding and σ-Aromaticity
【机 构】
:
Nanocluster Laboratory,Institute of Molecular Science,Shanxi University,Taiyuan 030006
【出 处】
:
第十三届全国量子化学会议
【发表日期】
:
2017年期
其他文献
Organometallics featuring group13-group13 bonds have attracted quite a lot of attention and they are widely used as reagents,catalysts and activators of org
会议
卤键是指存在于含卤原子(如Cl,Br,I)分子和具有孤对电子或π 电子体系分子间的一种弱相互作用,其在生命科学、材料科学和药物设计等领域都发挥着至关重要的作用。
The effect of spin-orbit interaction on the structures and magnetism of ConRh13-n clusters have been systematically investigated by using the spin-orbit cou
会议
In this paper,the structural,bonding and magnetic properties of small FemVn(m+n≤6)clusters have been investigated at the GGA/PBE level with the unconstrain
会议
Understanding of Chemical Bonds and Reactions Based on Topological Analysis of Electron Localization
Chemistry is a branch of physical science that studies the composition,structure,properties and change of matter.The chemical bond and reaction are core con
会议
Periodic density functional study of pressure effects on energetic ionic salt hydroxylammonium 5-nit
In this work,a detailed study of the structural and electronic properties of the energetic ionic salt hydroxylammonium 5-nitrotetrazolate-2N-oxide(HANTO)in
会议
近年来,金基双金属催化剂的组成和结构对其催化性能的影响受到了研究者的广泛关注。金属之间的协同作用会直接影响单金属粒子催化剂结构,从而提升催化剂的催化性能。
The effect of Substituent on Electronic Structures and Spectral Properties of Re(I)Tricarbonyl Compl
In this report,we theoretically designed a series of monometallic rhenium(I)tricarbonyl complexes containing [Re(CO)3]+fragment with pyca-2,6-iPr2C6H3–base
会议
自Haruta 等发现负载型纳米金在低温下具有较高的催化活性后,对负载型纳米金的研究一直是热点。影响负载型纳米金催化活性的因素很多,主要有Au 粒子的大小,价态,载体的类型等