What is the Optimal Size of the Quantum Region in Embedding Calculations of Two-Photon Absorption Spectra of Fluorescent Proteins?

J Chem Theory Comput · 2020 · PMC7586329 · PMID 32862643

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a decreasing trendno p-value reported

Starting from the 0.30-noh system, f displays a decreasing trend with a QM size ( Figures 4 and S7 in the Supporting Information ) but intX clusters have higher f than X.XX ones of similar size (compare results for int5, int6 with 0.30 and int7, int8 with 0.35 QM clusters in Tables S13 and S14 in the Supporting Information ).

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