Wave function for the lithium electride ROGDAS
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https://zenodo.org/records/19966
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资源简介：
The wave function for the lithium electride ROGDAS at the b3lyp/6-31+G(d) level, analysed as a molecular electrostatic potential, a spin density, a molecular orbital and as a reduced density gradient (NCI) distribution.
创建时间：
2024-08-04
