Additional file 1 of Reliable and accurate prediction of basic pKa values in nitrogen compounds: the pKa shift in supramolecular systems as a case study
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https://springernature.figshare.com/articles/dataset/Additional_file_1_of_Reliable_and_accurate_prediction_of_basic_pK_________a_________a______values_in_nitrogen_compounds_the_pK_________a_________a______shift_in_supramolecular_systems_as_a_case_study/26620693/2
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Additional file 1. Optimized structures of the investigated compounds, equations, tables and additional figures.
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figshare
创建时间：
2025-03-11
