Acridine Functionals (Section 4.2)
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https://data.hpc.imperial.ac.uk/resolve/?doi=8345
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资源简介:
The TD-DFT log files for H+Acridine, calculated using APFD/DGTZVP, wB97XD/DGTZVP, B97D3/DGTZVP and B3LYP/DGTZVP using MP2/DGTZVP geometry. Used in section 4.2 of the report.
提供机构:
Imperial College London
创建时间:
2021-06-27



