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1 Ergebnisse
1
Nuclear–Electronic Orbital QM/MM Approach: Geometry Optimiz..:
Chow, Mathew
;
Lambros, Eleftherios
;
Li, Xiaosong
.
Journal of Chemical Theory and Computation. 19 (2023) 13 - p. 3839-3848 , 2023
Link:
https://doi.org/10.1021/acs.jctc.3c00361
RT Journal T1 <Title>Nuclear–Electronic Orbital QM/MM Approach: Geometry Optimizations and Molecular Dynamics</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.3c00361&Exemplar=1&LAN=DE A1 Chow, Mathew A1 Lambros, Eleftherios A1 Li, Xiaosong A1 Hammes-Schiffer, Sharon PB American Chemical Society (ACS) YR 2023 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 19 IS 13 SP 3839 OP 3848 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.3c00361 DO https://doi.org/10.1021/acs.jctc.3c00361 SF ELIB - SuUB Bremen
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