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1 Ergebnisse
1
Ion Solvation Free Energy Calculation Based on Ab Initio Mo..:
Xi, Cong
;
Zheng, Fan
;
Gao, Guoping
...
Journal of Chemical Theory and Computation. 18 (2022) 11 - p. 6878-6891 , 2022
Link:
https://doi.org/10.1021/acs.jctc.1c01298
RT Journal T1 <Title>Ion Solvation Free Energy Calculation Based on Ab Initio Molecular Dynamics Using a Hybrid Solvent Model</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.1c01298&Exemplar=1&LAN=DE A1 Xi, Cong A1 Zheng, Fan A1 Gao, Guoping A1 Song, Zhigang A1 Zhang, Buyu A1 Dong, Cunku A1 Du, Xi-Wen A1 Wang, Lin-Wang PB American Chemical Society (ACS) YR 2022 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 18 IS 11 SP 6878 OP 6891 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.1c01298 DO https://doi.org/10.1021/acs.jctc.1c01298 SF ELIB - SuUB Bremen
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