The study is valuable in guiding the design and performance regulation of diboron compounds.
This research highlight showcases the application of block-localized wavefunction method with the XMVB@XACS software package by Xuhui Lin et al. at Central South University.
Chemical bonding group from Xiamen University has developed a hybrid density functional valence bond (VB) method with multistate treatment, namely λ-DFVB(MS).
Recently, Sason Shaik from Hebrew University and coworkers applied the valence bond theory to the study of nine hydrogen bond systems.