Input and output files for Prediction of pKa Values Using the PM6 Semiempirical Method
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https://figshare.com/articles/dataset/Input_and_output_files_for_Prediction_of_pKa_Values_Using_the_PM6_Semiempirical_Method/3398515/3
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资源简介：
Input and output files for Prediction of pKa Values Using the PM6 Semiempirical Method<br>Data collected in following spreadsheets<br>PM6-D3H+/SMD(*)https://docs.google.com/spreadsheets/d/1y-QAnCalkXkvfEx7vOs0CUKsORjrGRmRLzO1bwWicRo/edit?usp=sharing<br>PM6/SMDhttps://docs.google.com/spreadsheets/d/1tfKv1_5YbZC3FV2poOZoMCKZFzSGWWwfckML2pd6P_k/edit?usp=sharing<br>PM6/COSMOhttps://docs.google.com/spreadsheets/d/1h4BdkN8jCBgdGyRv2rlbZSwLNPkl90dGaMkKXjMEDy4/edit?usp=sharing
提供机构：
figshare
创建时间：
2016-07-15
