Promoted by the all-metal aromatic Al4Cu- cluster,composed of aluminum square,which is the global minimum in zero-dimensional(0D)space,we computationally de
The major computational limitation of conventional ab initio methods is the scaling problem,because the cost of ab initio calculation scales as nth power or wor
Generalized energy-based fragmentation(GEBF)approach[1] has been extended to the accurate energy calculations of water[2-3] and the electronic absorption sp
G-protein-coupled receptors(GPCRs)are important drug targets,which are in general activated by ligands and deliver signal to cytosolic part.However,some exp
The formation of halogen bond-driven 2D supramolecular assemblies on solid surfaces has become a hot research topic in recent years.We present a first-princ