Tozer's Set Log Files (Section 4.1)
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https://data.hpc.imperial.ac.uk/resolve/?doi=8348
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资源简介：
Ground state optimization and excited state energy calculation (B3LYP/DGTZVP for all) log files for naphthalene, anthracene, tetracene and pentacene. NTOs from the first and third singlet excited states of pentacene.
提供机构：
Imperial College London
创建时间：
2021-06-27
