Molecular geometries of a donor-acceptor OLED emitter
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https://repod.icm.edu.pl/citation?persistentId=doi:10.18150/NWJJXY
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资源简介：
This data set includes the calculated equilibrium geometries of a truncated model of donor-acceptor compound which was designed by Dr Marcin Lindner as an OLED emitter.All geometries are given in terms of Cartesian coordinates in units of ångström (Å), in the standard .xyz file format. The level of electronic structure theory at which the given structure was optimized is given in the relevant file.
提供机构：
RepOD
创建时间：
2023-04-04
