Supporting information for "On the sensitivity of computed partial charges toward basis set and (exchange-)correlation treatment"
收藏DataCite Commons2023-12-04 更新2024-08-18 收录
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https://figshare.com/articles/dataset/Supporting_information_for_On_the_sensitivity_of_computed_partial_charges_toward_basis_set_and_exchange-_correlation_treatment_/24720771
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资源简介：
Microsoft Excel workbook with all individual partial charges according to the various definitions and at the various levels of theory discussed, as well as the resulting statistics presented and discussed in the manuscript.
提供机构：
figshare
创建时间：
2023-12-04
