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Persistent URL	http://purl.org/net/epubs/work/54093771
Record Status	Checked
Record Id	54093771
Title	Multiscale QM/MM modelling of catalytic systems with ChemShell
Contributors	Y Lu (STFC Daresbury Lab.), K Sen (STFC Daresbury Lab.), C Yong (STFC Daresbury Lab.), DSD Gunn (STFC Daresbury Lab.), JA Purton (STFC Daresbury Lab.), J Guan, A Desmoutier, J Abdul Nasir, X Zhang, L Zhu, Q Hou, J Jackson-Masters, S Watts, R Hanson, HN Thomas, O Jayawardena, AJ Logsdail, SM Woodley, HM Senn, P Sherwood, CRA Catlow, AA Sokol, TW Keal (STFC Daresbury Lab.)
Abstract
Organisation	STFC , SCI-COMP
Keywords
Funding Information	UKRI (MR/T018372/1); EPSRC (EP/R001847/1); EPSRC (EP/P022235/1); EPSRC (EP/R029431/1); EPSRC (EP/M022617/1)
Related Research Object(s):
Licence Information:	Creative Commons Attribution 3.0 Unported (CC BY 3.0)
Language	English (EN)

Type	Details	URI(s)	Local file(s)	Year
Journal Article	Phys Chem Chem Phys 25, no. 33 (2023): 21816-21835.	doi:10.1039/d3cp00648d		2023

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