四配位
平面的
氟
Atom(片上系统)
从头算
星团(航天器)
从头算量子化学方法
密度泛函理论
化学物理
化学
锂(药物)
结晶学
离子键合
计算化学
原子物理学
有机化学
分子
计算机科学
离子
物理
计算机图形学(图像)
嵌入式系统
内分泌学
程序设计语言
医学
作者
Kangkan Sarmah,Amlan J. Kalita,Ankur K. Guha
摘要
calculations revealed that the ptF structure is a real minimum and indeed, the global minimum. Bonding analysis indicates that the central fluorine atom is stabilized by multicentre bonding with four surrounding Li atoms. Natural charge analysis reveals that the fluorine atom is negatively charged, which is strongly attracted by the positively charged surrounding lithium centres, thereby imparting significant electrostatic attraction. Aromaticity has no role to play here. The cluster is dynamically stable and is expected to be detected in the gas phase.
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