Secondary bonding in small(HgS)n clustersa theoretical investigation

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户:lmjgood520
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
Low-Iying isomers of mercury sulfide(HgS)n(n = 1-16,20)clusters are located by unbiased global search method combining the genetic algorithm with density functional theory.
其他文献
会议
会议
会议
会议
会议
The 1,3∑-g,u manifolds of the H2 molecule are in an energy region delimited by the 2∑+u(2pσu) and the 2πu(2pπu)ionization thresholds of the H2+ion,an energ
会议
会议
Delocalized interactions involving aromatic rings are central to many areas of modern chemistry.However,common topological approaches find it difficult to descr
会议
Jellium model is widely used in studies of alkali-metal clusters.In this model,the valence electrons of a cluster are delocalized in the cluster volume and fill
会议
会议