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1 Ergebnisse
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Optimized Pseudopotentials and Basis Sets for Semiempirical..:
Li, Wan-Lu
;
Chen, Kaixuan
;
Rossomme, Elliot
..
The Journal of Physical Chemistry Letters. 12 (2021) 42 - p. 10304-10309 , 2021
Link:
https://doi.org/10.1021/acs.jpclett.1c02918
RT Journal T1 <Title>Optimized Pseudopotentials and Basis Sets for Semiempirical Density Functional Theory for Electrocatalysis Applications</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jpclett.1c02918&Exemplar=1&LAN=DE A1 Li, Wan-Lu A1 Chen, Kaixuan A1 Rossomme, Elliot A1 Head-Gordon, Martin A1 Head-Gordon, Teresa PB American Chemical Society (ACS) YR 2021 SN 1948-7185 SN 1948-7185 JF The Journal of Physical Chemistry Letters VO 12 IS 42 SP 10304 OP 10309 LK http://dx.doi.org/https://doi.org/10.1021/acs.jpclett.1c02918 DO https://doi.org/10.1021/acs.jpclett.1c02918 SF ELIB - SuUB Bremen
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