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1 Ergebnisse
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Automating the Optimization of Catalytic Reaction Mechanism..:
Chacko, Rinu
;
Keller, Kevin
;
Tischer, Steffen
...
The Journal of Physical Chemistry C. 127 (2023) 16 - p. 7628-7639 , 2023
Link:
https://doi.org/10.1021/acs.jpcc.2c08179
RT Journal T1 <Title>Automating the Optimization of Catalytic Reaction Mechanism Parameters Using Basin-Hopping: A Proof of Concept</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jpcc.2c08179&Exemplar=1&LAN=DE A1 Chacko, Rinu A1 Keller, Kevin A1 Tischer, Steffen A1 Shirsath, Akash B. A1 Lott, Patrick A1 Angeli, Sofia A1 Deutschmann, Olaf PB American Chemical Society (ACS) YR 2023 SN 1932-7447 SN 1932-7455 JF The Journal of Physical Chemistry C VO 127 IS 16 SP 7628 OP 7639 LK http://dx.doi.org/https://doi.org/10.1021/acs.jpcc.2c08179 DO https://doi.org/10.1021/acs.jpcc.2c08179 SF ELIB - SuUB Bremen
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