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4. Design of Molecules with Low Hole and Electron Reorganization Energy Using DFT Calculations and Bayesian Optimization. Ando T; Shimizu N; Yamamoto N; Matsuzawa NN; Maeshima H; Kaneko H J Phys Chem A; 2022 Sep; 126(36):6336-6347. PubMed ID: 36053017 [TBL] [Abstract][Full Text] [Related]
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