On the short and long phosphorescence lifetimes of aromatic carbonyls
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https://figshare.com/articles/dataset/On_the_short_and_long_phosphorescence_lifetimes_of_aromatic_carbonyls/22277548
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资源简介：
The datasets generated during the study of phosphorescence lifetimes of aromatic carbonyl compounds.
The molecules studied are:
benzaldehyde (BA),
4-methylbenzaldehyde (MeBA),
4-methoxybenzaldehyde (MoBA),
4-dimethylaminobenzaldehyde (DMABA).
The repository contains the Cartesian coordinate of stationary structures and the raw data of the NEA simulations of emission spectra.
The NEA phosphorescence method was implemented in Newton-X and is publicly available (www.newtonx.org).
创建时间：
2023-03-15
