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Our results for the Mo dimer as well as for the other Mo clusters were obtained considering the 4d5,5s1 electrons explicitly.We also made calculation for the Mo dimer by also including the 4p6 electrons explicitly.......

[ Last edited by xiaowu787 on 2011-1-6 at 15:19 ]
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Originally posted by xiaowu787 at 2011-01-06 09:34:40:
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