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【摘 要】
：
Tetrazole monomers (Ⅰ,Ⅱ) and all of their possible stable dimers (1, 2, 3, 4, 5, 6, 7and 8) were fully optimized by DFT method at the B3LYP/6-311++G** level.
【机 构】
：
Department of Chemistry
【出 处】
：
结构化学
【发表日期】
：
2004年期
【基金项目】
：
国家自然科学基金
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