OBSOLETE: Imine formation from neat aromatic primary amines and benzaldehyde (optimized using (aug)-pcseg-0) (part I)
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Input and output files from quantum chemical computation of the reaction mechanismhttps://peerj.com/preprints/27710v1/SUPERSEDED by the computations present in 10.6084/m9.figshare.8794859, which have been published as:"New insights into the mechanism of Schiff base synthesis from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)
创建时间：
2019-04-26
