First-Principles Spectroscopy of Aqueous Interfaces using Machine-Learned Electronic and Quantum Nuclear Effects
نویسندگان
چکیده
Vibrational spectroscopy is critical to understanding the structure and dynamics of interfacial water, which plays a key role in natural technologically-relevant phenomena. However, interpreting vibrational spectra complex...
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ژورنال
عنوان ژورنال: Faraday Discussions
سال: 2023
ISSN: ['1359-6640', '1364-5498']
DOI: https://doi.org/10.1039/d3fd00113j