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- W1244304807 abstract "[Mn2（cyclen）2（μ-O）2]（ClO4）3.4 H2O（cyclen=1,4,7,10-四氮杂环十二烷）是一种新型的Mn（Ⅲ/Ⅳ）混合价双核配合物.为了了解其详细的结构信息,在其晶体结构基础上进行了量子化学研究;同时在相同水平上计算了优化结构的前沿分子轨道及自然电荷分布.结果表明,采用B3LYP/6-31G（d）方法对其结构进行优化,优化结果与实验结果吻合良好." @default.
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- W1244304807 date "2010-01-01" @default.
- W1244304807 modified "2023-09-24" @default.
- W1244304807 title "1,4,7,10-四氮杂环十二烷配体的夹心型双核Mn配合物[Mn2（cyclen）2（μ-O）2]（ClO4）3·4H2O的量子化学研究" @default.
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