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1 Ergebnisse
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High-throughput ab initio reaction mechanism exploration in..:
Unsleber, Jan P.
;
Liu, Hongbin
;
Talirz, Leopold
...
The Journal of Chemical Physics. 158 (2023) 8 - p. , 2023
Link:
https://doi.org/10.1063/5.0136526
RT Journal T1
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation
UL https://suche.suub.uni-bremen.de/peid=cr-10.1063_5.0136526&Exemplar=1&LAN=DE A1 Unsleber, Jan P. A1 Liu, Hongbin A1 Talirz, Leopold A1 Weymuth, Thomas A1 Mörchen, Maximilian A1 Grofe, Adam A1 Wecker, Dave A1 Stein, Christopher J. A1 Panyala, Ajay A1 Peng, Bo A1 Kowalski, Karol A1 Troyer, Matthias A1 Reiher, Markus PB AIP Publishing YR 2023 SN 0021-9606 SN 1089-7690 JF The Journal of Chemical Physics VO 158 IS 8 LK http://dx.doi.org/https://doi.org/10.1063/5.0136526 DO https://doi.org/10.1063/5.0136526 SF ELIB - SuUB Bremen
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