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采用M06-2X和QCISD方法研究了类锗烯H2Ge FAl F2的结构及其与RH(R=F,OH,NH2)的插入反应.在M06-2X/6-311+G(d,p)水平上对势能面上各......
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The pair correlation energy of bonding electrons is used and analyzed in the cal- culation of C-H and C-Y (Y = F, O, N) ......