Theoretical investigation of the cooperative effect of solvent: a case study
收藏REDU2023-01-01 更新2026-05-11 收录
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https://redu.unicamp.br/citation?persistentId=doi:10.25824/redu/WTLPQJ
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资源简介：
The RAR files contain the optimized structures obtained via calculations with the Gaussian program and employed for the subsequent calculations. One of the files contains the structures with one to seven explicitly added water molecules, the other contains the structures of the reactants, transition states and products with which the reaction rate calculations were carried out.
创建时间：
2023-01-01
