The structure of cage molecule N60 has been calculated by using ab initio method at 6-31G level. The optimized stable geometrical structure of N60 is concave cage with twelve concave-down atoms in the cage. The result...The structure of cage molecule N60 has been calculated by using ab initio method at 6-31G level. The optimized stable geometrical structure of N60 is concave cage with twelve concave-down atoms in the cage. The results of electronic structure calculations can be used for explaining the formation of the concave N60 cage.展开更多
文摘The structure of cage molecule N60 has been calculated by using ab initio method at 6-31G level. The optimized stable geometrical structure of N60 is concave cage with twelve concave-down atoms in the cage. The results of electronic structure calculations can be used for explaining the formation of the concave N60 cage.
