DFT-DVM Study on the Bi-capped Keggin Type Heteropoly Anions [PM_(12)O_(40)(VO)_2]~(n-)(M=Mo, n=5; M=V, n=9)

• 双帽Keggin型杂多阴离子[PM_(12)O_(40)(VO)_2]~(n-)(M=Mo,n=5;M=V,n=9)的离散变分方法研究