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标题: Benchmarking Quantum Chemical Methods: Are We Heading in the Right Direction? [打印本页]

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yflchx    时间: 2017-7-26 10:00
标题: Benchmarking Quantum Chemical Methods: Are We Heading in the Right Direction?
本帖最后由 yflchx 于 2017-7-26 10:02 编辑

Ricardo A. Mata and Martin A. Suhm, Benchmarking Quantum Chemical Methods: Are We Heading in the Right Direction? DOI: 10.1002/anie.201611308

http://onlinelibrary.wiley.com/doi/10.1002/anie.201611308/abstract
open access,直接下载即可。

谈了计算中比较基本的问题,理论与实验应该更紧密地结合。






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