Machine learning of solvent effects on molecular spectra and reactions
نویسندگان
چکیده
A machine learning approach for modeling the influence of external environments and fields on molecules has been developed, which allows prediction various types molecular spectra in vacuum under implicit explicit solvation.
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ژورنال
عنوان ژورنال: Chemical Science
سال: 2021
ISSN: ['2041-6520', '2041-6539']
DOI: https://doi.org/10.1039/d1sc02742e