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Quantum Mechanics/Fluctuating Charge Protocol to Compute Solvatochromic Shifts.
J Chem Theory Comput. 2021 Nov 9;17(11):7146-7156. doi: 10.1021/acs.jctc.1c00763. Epub 2021 Oct 7.
J Chem Theory Comput. 2021.
PMID: 34619965
Free PMC article.
Simulating Absorption Spectra of Flavonoids in Aqueous Solution: A Polarizable QM/MM Study.
Skoko S, Ambrosetti M, Giovannini T, Cappelli C.
Skoko S, et al.
Molecules. 2020 Dec 11;25(24):5853. doi: 10.3390/molecules25245853.
Molecules. 2020.
PMID: 33322361
Free PMC article.
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