Electrochemistry is an old branch of science,and the renewed interest is largely due to its important relevance to the contemporary challenges on energy and
Furan,as the basic unit of furan-based biofuels,can be synthesized from the catalytic conversion of cellulosic biomass,and its combustion chemistry has been
In this work,ab initio valence bond theory is applied to investigate the driving force for the bond length alternation and π-bond localization in annelated
The ab initio valence bond(VB)methods is applied to study the mechanism of the reaction of alkalis and halogen.The crossing and coupling matrix of two coval
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