SI_data.zip from Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems
dataset
posted on 2023-04-19, 20:48 authored by Jingcheng Guan, You Lu, Kakali Sen, Jamal Abdul Nasir, Alec W. Desmoutier, Qing Hou, Xingfan Zhang, Andrew J. Logsdail, Gargi Dutta, Andrew M. Beale, Richard W. Strange, Chin Yong, Paul Sherwood, Hans M. Senn, C. Richard A. Catlow, Thomas W. Keal, Alexey A. SokolData archive containing raw vibrational mode data
