Organocatalytic-racemization reaction elucidation of aspartic acid by density functional theory

概要

This work was partly supported by the JSPS Grants-in-Aid for Scientific Research (JP20H05453, JP20H05088, JP21H05419, and JP22H04916), MEXT Grants-in-Aid for Scientific Research on Innovative Areas (JP21H05419), JST PRESTO grant number JPMJPR19G6, and a research grant from The Mazda Foundation. Some computations were performed using computer facilities at the Research Institute for Information Technology, Kyushu University; the Research Center for Computational Science, Okazaki, Japan (Project:22-IMS-C122); and the Multidisciplinary Cooperative Research Program in CCS, University of Tsukuba. M.B. thanks the HPC Center at the University of Strasbourg funded by the Equipex Equip@Meso project, the CPER Alsacalcul/Big Data, and the Grand Equipement National de Calcul Intensif (GENCI) under allocation DARI-A0120906092 and A0140906092. We acknowledge Editage (www.editage.com) for English language editing.

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