DFT calculated Raman Spectra of Organo-arsenic compounds
收藏Research Data Australia2024-12-14 收录
下载链接：
https://researchdata.edu.au/dft-calculated-raman-arsenic-compounds/1957520
下载链接
链接失效反馈官方服务：
资源简介：
A Raman spectroscopic study of twelve relevant organo-arsenic compounds. We have considered the prediction of the normal mode vibrational frequencies and assignments based on calculations done at the HF, DFT/B3LYP levels of theory for 12 organo-arsenic compounds using 6-311++G(3df,3pd) basis set. The results from this high level of calculation, though not necessary, were corrected using established scale factors.
提供机构：
University of New South Wales
