[A204-4am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[A204-4am-13] Accurate acidity prediction in solvent environments by electronic structure informatics

^○Rima Suzuki¹, Nahoko Kuroki^1,2, Hirotoshi Mori^1,3 (1. Department of Applied Chemistry, Faculty of Science and Engineering, Chuo University, 2. JST ACT-X, 3. Department of Theoretical and Computational Molecular Science, Institute for Molecular Science)

[Lang.] Japanese

Keywords:Acidity, Electronic Structure, Solvation, Materials Informatics, Electron-withdrawing Group