Infra-red spectroscopy of molecules in solution from linear-scaling DFT molecular dynamics

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：plant720

【作者】

：

Valerio Vitale Chris-Kriton Skylaris Jacek Dziedic

【机构】

：

School of Chemistry,University of Southampton,Southampton SO17 1BJ,UK

【出处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年期

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Infra-red spectroscopy of molecules in solution from linear-scaling DFT molecular dynamics

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