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Persistent URL	http://purl.org/net/epubs/work/54144842
Record Status	Checked
Record Id	54144842
Title	Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems
Contributors	J Guan, Y Lu (STFC Daresbury Lab.), K Sen (STFC Daresbury Lab.), J Abdul Nasir, AW Desmoutier, Q Hou, X Zhang, AJ Logsdail, G Dutta, AM Beale, RW Strange, C Yong (STFC Daresbury Lab.), P Sherwood, HM Senn, CRA Catlow, TW Keal (STFC Daresbury Lab.), AA Sokol
Abstract
Organisation	STFC , SCI-COMP
Keywords
Funding Information	EPSRC (EP/R001847/1); EPSRC (EP/R029431); EPSRC (EP/T022213); UKRI (MR/T018372/1)
Related Research Object(s):
Licence Information:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Language	English (EN)

Type	Details	URI(s)	Local file(s)	Year
Journal Article	Philos T Roy Soc A 381, no. 2250 (2023): 20220234.	doi:10.1098/rsta.2022.0234		2023