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1 Ergebnisse
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Tailoring parameters for QM/MM simulations: accurate modeli..:
Kao, Yu-Chi
;
Wang, Yi-Ming
;
Yeh, Jyun-Yi
...
Physical Chemistry Chemical Physics. 26 (2024) 30 - p. 20388-20398 , 2024
Link:
https://doi.org/10.1039/d4cp00681j
RT Journal T1 <Title>Tailoring parameters for QM/MM simulations: accurate modeling of adsorption and catalysis in zirconium-based metal–organic frameworks</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1039_d4cp00681j&Exemplar=1&LAN=DE A1 Kao, Yu-Chi A1 Wang, Yi-Ming A1 Yeh, Jyun-Yi A1 Li, Shih-Cheng A1 Wu, Kevin C.-W. A1 Lin, Li-Chiang A1 Li, Yi-Pei PB Royal Society of Chemistry (RSC) YR 2024 SN 1463-9076 SN 1463-9084 JF Physical Chemistry Chemical Physics VO 26 IS 30 SP 20388 OP 20398 LK http://dx.doi.org/https://doi.org/10.1039/d4cp00681j DO https://doi.org/10.1039/d4cp00681j SF ELIB - SuUB Bremen
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