作者：Rui-Yan Li, Zhi-Ru Li,* Di Wu, Ying Li, Wei Chen,and Chia-Chung Sun
關(guān)鍵字：interaction energy optimization
論文來源：期刊
發(fā)表時間：2004年
The ð-halogen bond may be considered, in a broad sense, essentially a ð-hydrogen bond. Using the
counterpoise-corrected potential energy surface method (interaction energy optimization), the stationary
structures of the C2H4-nFn-ClF (n ) 0-2) complexes with all real frequencies have been obtained at the
MP2/aug-cc-pVDZ level.