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OBSOLETE: Imine formation from neat aromatic primary amines and benzaldehyde (optimized using (aug)-pcseg-0) (part I)

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Figshare2022-02-02 更新2026-04-08 收录
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https://figshare.com/articles/dataset/Imine_formation_from_neat_aromatic_primary_amines_and_benzaldehyde/5640502/3
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资源简介:
Input and output files from quantum chemical computation of the reaction mechanism<br><br><br>https://peerj.com/preprints/27710v1/<br><br><br>SUPERSEDED by the computations present in 10.6084/m9.figshare.8794859, which have been published as:<br>"New insights into the mechanism of Schiff base synthesis from aromatic amines in the absence of acid catalyst or polar solvents" PeerJ Organic Chemistry 2, e4 (DOI: 10.7717/peerj-ochem.4)
提供机构:
Silva, Pedro
创建时间:
2019-10-29
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