Energy difference between TS and ES of SE structures.
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https://figshare.com/articles/dataset/_Energy_difference_between_TS_and_ES_of_SE_structures_/194670
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资源简介：
Electronic energy difference between and ES in (1), not corrected for ZPE.a: PM3 value only for proton abstraction.
创建时间：
2015-12-02
