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15649032763

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[求助] Dmol3过渡态求解

请问在使用Dmol3对反应物和生成物进行优化之后,如何在Tools/reaction preview中添加两种reactant的啊?

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123456Jeff

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好像不可以分别加入2个reactant,但是你可以把2个reactant放在一个box里面,如果开始时不想它们之间有相互作用,可以增大2个reactant之间距离。

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