Ab initio studies of MHen+(M=Be, Mg; n=1–4) complexes
作者： Xinping Bu , Chongli Zhong , A.F Jalbout
DOI: 10.1016/J.CPLETT.2004.02.062
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摘要: Abstract The MHe n + (M=Be, Mg) complexes with =1–4 were investigated by ab initio calculations at the levels of HF, MP2 and MP2(full)/6-311+G(3df, 3pd). found to be stable, calculated results show that C 3V geometry is stable for 3 complexes, 2V 4 complexes.
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