ABEEM/MM model has been applied to compute the various properties characterizing water clusters(H2O)n(n=7-10),such as optimized geometries,the hydrogen bonds number,cluster interaction en-ergies,stabilities,ABEEM char...ABEEM/MM model has been applied to compute the various properties characterizing water clusters(H2O)n(n=7-10),such as optimized geometries,the hydrogen bonds number,cluster interaction en-ergies,stabilities,ABEEM charge distributions,dipole moments,structural parameters,and so on,and to describe the transition reflected by the hexamer region from two-dimensional(from dimer to pen-tamer)to three-dimensional structures(for clusters larger than the hexamer).展开更多
基金Supported by the National Natural Science Foundation of China(Grant No.20373021)
文摘ABEEM/MM model has been applied to compute the various properties characterizing water clusters(H2O)n(n=7-10),such as optimized geometries,the hydrogen bonds number,cluster interaction en-ergies,stabilities,ABEEM charge distributions,dipole moments,structural parameters,and so on,and to describe the transition reflected by the hexamer region from two-dimensional(from dimer to pen-tamer)to three-dimensional structures(for clusters larger than the hexamer).
