ob3lyp.txt from A DFT investigation of the blue bottle experiment: E°halfcell analysis of autoxidation catalysed by redox indicators
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https://figshare.com/articles/dataset/ob3lyp_txt_from_A_DFT_investigation_of_the_blue_bottle_experiment_i_E_i_sub_halfcell_sub_analysis_of_autoxidation_catalysed_by_redox_indicators/5558518
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资源简介：
Optimised geometries at B3LYP/6-311++G**
创建时间：
2017-11-01
