ORCA
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Thomas, Harry N., Wass, Duncan F.  ORCID: https://orcid.org/0000-0002-0356-7067, Offiler, Caroline A., Whiston, Keith and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X
2024.
First principles investigation of manganese catalyst structure and coordination in the p -xylene oxidation process.
Catalysis Science & Technology
14
(19)
, pp. 5634-5643.
10.1039/d4cy00284a
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Thomas, Harry
2024.
Modelling approaches to p-Xylene catalysis.
PhD Thesis,
Cardiff University.
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Lu, You, Sen, Kakali, Yong, Chin, Gunn, David S. D., Purton, John A., Guan, Jingcheng, Desmoutier, Alec, Abdul Nasir, Jamal, Zhang, Xingfan, Zhu, Lei, Hou, Qing, Jackson-Masters, Joe, Watts, Sam, Hanson, Rowan, Thomas, Harry N., Jayawardena, Omal, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Woodley, Scott M., Senn, Hans M., Sherwood, Paul, Catlow, Richard ORCID: https://orcid.org/0000-0002-1341-1541, Sokol, Alexey A. and Keal, Thomas W.
2023.
Multiscale QM/MM modelling of catalytic systems with ChemShell †.
Physical Chemistry Chemical Physics
10.1039/d3cp00648d
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