Coupled-Cluster Polarizabilities in the QM7b and a Showcase Database
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下载链接：
https://archive.materialscloud.org/doi/10.24435/materialscloud:2019.0002/v2
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资源简介：
Dipole polarizabilities, computed using linear response coupled cluster theory and density functional theory (using d-aug-cc-pVDZ basis set), for 7211 molecules from the QM7b dataset of small molecules and for 52 molecules from a showcase dataset.
提供机构：
Materials Cloud
创建时间：
2019-05-04
