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Modelling infrared spectra of the O-H stretches in liquid H2O based on a deep learning potential, the importance of nuclear quantum effects.

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Bibliographic Details
Title: Modelling infrared spectra of the O-H stretches in liquid H2O based on a deep learning potential, the importance of nuclear quantum effects.
Authors: Li, Dongyao1 (AUTHOR), Zhao, Dan1 (AUTHOR), Huang, Yao1 (AUTHOR), Shen, Hujun1,2 (AUTHOR) hujun.shen@hotmail.com, Deng, Mingsen1 (AUTHOR)
Source: Molecular Simulation. May/Jun2024, Vol. 50 Issue 7-9, p539-546. 8p.
Database: Academic Search Ultimate
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ISSN:08927022
DOI:10.1080/08927022.2024.2328724