List of charge transport low molecular weight compound geometry files
收藏NIAID Data Ecosystem2026-05-01 收录
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https://zenodo.org/record/10875137
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资源简介：
The dataset comprises geometry files for low molecular weight compounds related to electron transport and hole transport. These files store information about atoms and bonds. The optimization of molecular geometry is performed using Avogadro software. These molecular structural files can subsequently be utilized to calculate energy levels for molecules, for instance, using Gaussian software.
创建时间：
2024-03-26
