Recently, Sason Shaik from Hebrew University and coworkers applied the valence bond theory to the study of nine hydrogen bond systems.

Molecular Raman spectra can now be calculated online with MLatom on the XACS cloud computing platform* using a simple input file.

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。

GICnet models are analytical representation of molecules and chemical reactions in four-dimensional spacetime!

第三届化学键与AI分子模拟XACS研讨会（XACSW-2024）在郑州大学成功举办。