In this poster,we explore the physical origin of the triple H-bonds in tryptamine H2O dimer using a series of qualitative and quantitive analysis schemes.
The hydrogen bonding interactions in a series of glycolic acid-small molecule complexes were studied by the generalized Kohn-Sham energy decomposition analy
Valence bond(VB)theory,[1] which is one of the general theoretical approaches for chemical bonding,has been employed to the analysis of molecular interactio
The gold atom on the Au20 cluster could be substituted by the palladium and platinum atoms to obtain the doped clusters with more stable geometries as a fun
Metallabenzenes,the organometallic counterparts of benzene,expand the family of aromatics and further create prospective candidates for novel applications.S