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A combined periodic DFT and QM/MM approach to understand th..:
Sainna, Mala A.
;
Nanavati, Sachin
;
Black, Constance
...
Faraday Discussions. 229 (2021) - p. 108-130 , 2021
Link:
https://doi.org/10.1039/d0fd00005a
RT Journal T1
A combined periodic DFT and QM/MM approach to understand the radical mechanism of the catalytic production of methanol from glycerol
UL https://suche.suub.uni-bremen.de/peid=cr-10.1039_d0fd00005a&Exemplar=1&LAN=DE A1 Sainna, Mala A. A1 Nanavati, Sachin A1 Black, Constance A1 Smith, Louise A1 Mugford, Karl A1 Jenkins, Harry A1 Douthwaite, Mark A1 Dummer, Nicholas F. A1 Catlow, C. Richard A. A1 Hutchings, Graham J. A1 Taylor, Stuart H. A1 Logsdail, Andrew J. A1 Willock, David J. PB Royal Society of Chemistry (RSC) YR 2021 SN 1359-6640 SN 1364-5498 JF Faraday Discussions VO 229 SP 108 OP 130 LK http://dx.doi.org/https://doi.org/10.1039/d0fd00005a DO https://doi.org/10.1039/d0fd00005a SF ELIB - SuUB Bremen
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