It plays a significant role in enhancing our understanding of various chemical phenomena.
最近,苏培峰课题组将QM/MM方法与GKS-EDA相结合,提出了GKS-EDA(QM/MM),用于大分子体系的相互作用,工作发表在J. Phys. Chem. A。
New example on the application of XACS showcases the study of Wang Changwei from Shaanxi Normal University and Mo Yirong from the University of North Carolina at Greensboro.
This research highlight showcases the application of GKS-EDA method from the XEDA@XACS software package in elucidating the role of non-covalent interactions in chemical reactions.
The Influence of Hydrogen Bonds on the Roaming Reaction