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1 Ergebnisse
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Multiscale QM/MM modelling of catalytic systems with ChemSh..:
Lu, You
;
Sen, Kakali
;
Yong, Chin
...
Physical Chemistry Chemical Physics. 25 (2023) 33 - p. 21816-21835 , 2023
Link:
https://doi.org/10.1039/d3cp00648d
RT Journal T1 <Title>Multiscale QM/MM modelling of catalytic systems with ChemShell</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1039_d3cp00648d&Exemplar=1&LAN=DE A1 Lu, You A1 Sen, Kakali A1 Yong, Chin A1 Gunn, David S. D. A1 Purton, John A. A1 Guan, Jingcheng A1 Desmoutier, Alec A1 Abdul Nasir, Jamal A1 Zhang, Xingfan A1 Zhu, Lei A1 Hou, Qing A1 Jackson-Masters, Joe A1 Watts, Sam A1 Hanson, Rowan A1 Thomas, Harry N. A1 Jayawardena, Omal A1 Logsdail, Andrew J. A1 Woodley, Scott M. A1 Senn, Hans M. A1 Sherwood, Paul A1 Catlow, C. Richard A. A1 Sokol, Alexey A. A1 Keal, Thomas W. PB Royal Society of Chemistry (RSC) YR 2023 SN 1463-9076 SN 1463-9084 JF Physical Chemistry Chemical Physics VO 25 IS 33 SP 21816 OP 21835 LK http://dx.doi.org/https://doi.org/10.1039/d3cp00648d DO https://doi.org/10.1039/d3cp00648d SF ELIB - SuUB Bremen
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