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1 Ergebnisse
1
Born–Oppenheimer molecular dynamics simulations on structur..:
Li, Mengli
;
Chen, Lu
;
Gui, Lirong
...
Physical Chemistry Chemical Physics. 23 (2021) 3 - p. 2298-2304 , 2021
Link:
https://doi.org/10.1039/d0cp05707j
RT Journal T1 <Title>Born–Oppenheimer molecular dynamics simulations on structures of high-density and low-density water: a comparison of the SCAN meta-GGA and PBE GGA functionals</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1039_d0cp05707j&Exemplar=1&LAN=DE A1 Li, Mengli A1 Chen, Lu A1 Gui, Lirong A1 Cao, Shuo A1 Liu, Di A1 Zhao, Gang A1 Ding, Mingcui A1 Yan, Jinliang A1 Wang, Dehua PB Royal Society of Chemistry (RSC) YR 2021 SN 1463-9076 SN 1463-9084 JF Physical Chemistry Chemical Physics VO 23 IS 3 SP 2298 OP 2304 LK http://dx.doi.org/https://doi.org/10.1039/d0cp05707j DO https://doi.org/10.1039/d0cp05707j SF ELIB - SuUB Bremen
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