superhalogen相关论文
The combination of superhalogens and Brφnsted acids HX(X=F,Cl,Br):An effective strategy for designin
A series of 27 composite structures,consisting of superhalogen and Brφnsted acid,is designed and systematically studied......
The structures, relative stabilities, vertical electron detachment energies and magnetic properties of a series of t......
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Superhalogen species are kinds of molecular clusters consisting of highly electronegative ligands and central atoms 1a.T......
Are superhalogens without halogen ligand capable of transcending traditional halogen-based superhalo
The superhalogen properties of polynuclear structures without halogen ligand are theoretically explored here for sev......
The structures, relative stabilities, vertical detachment energies and exchange coupling constants of a series of Mn......
The structures,relative stabilities,vertical electron detachment energies and magnetic properties of a series of tri......
本文通过对荣华二采区10...
从理论上考察了一种新型超卤素阴离子体系MX3^-(M=Be,Mg,Ca;X=F,Cl,Br),并对该体系的几何结构、成键特征等性质进行了详细研究。上......
以超卤素M(NO3)2-(M=Li,Na)为基元,构建了超卤素团簇Mn(NO3)n+1-(M=Li,Na;n=2,3)。采用密度泛函理论研究了这些团簇的结构、垂直电......
