-
96浏览
-
0点赞
-
0收藏
-
0分享
-
114下载
-
0评论
-
引用
期刊论文
Ab initio analysis of geometric structures of BeHe+n (n=1-12) clusters
Chemical Physics Letters 392 (2004) 181-186,-0001,():
The BeHeþn clusters with n=1-12 were investigated by ab initio calculations at the level of MP2 (full)/6-311+G (2d, 2p). All the most stable geometric structures were obtained. It is found that the first solvation shell around the beryllium ion core is completed at n=12, and the mechanism of cluster forming can be explained in terms of the solvated ion core model. The effects of basis set superposition error (BSSE) correction and zero-point vibrational energy (ZPE) correction to the energies were considered in the calculations.
【免责声明】以下全部内容由[仲崇立]上传于[2005年07月01日 00时01分38秒],版权归原创者所有。本文仅代表作者本人观点,与本网站无关。本网站对文中陈述、观点判断保持中立,不对所包含内容的准确性、可靠性或完整性提供任何明示或暗示的保证。请读者仅作参考,并请自行承担全部责任。
本学者其他成果
同领域成果