A computed mechanistic pathway for the formation of an amide from an acid and an amine in non-polar solution.
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https://figshare.com/articles/dataset/A_computed_mechanistic_pathway_for_the_formation_of_an_amide_from_an_acid_and_an_amine_in_non_polar_solution_/1235300/1
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The mechanistic pathway for the formation of an amide from a primary amine and a carboxylic acid, evaluated using potential energy surfaces computed at the wB97XD/6-311G(d,p) and the B2PLYP+D3/TZVP procedures, with a an applied continuum solvent field for p-xylene.
提供机构：
figshare
创建时间：
2016-01-19
