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[问题求助] 最近想学Gaussian算我所做金属配合物的能级

最近想学Gaussian算我所做金属配合物的能级

最近想学Gaussian算我所做金属配合物的能级,还有就是跃迁类型,以确认我所做光谱的归属,请大家帮忙,这方面一点不懂,刚把软件装上

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回复 1# yingj808 的帖子

自己顶,人气实在差啊

Try "TD-DFT" or "SAC-CI" in G03

Chemistry=Chem Is Try. "Learn from yesterday live for today hope for tomorrow. The important thing is not to stop questioning" - Einstein
Chem8资源供个人学术,避免恶意滥用传播,善用善止

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TD-DFT is easy

欢迎来chem8理论化学群33123564

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