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1 Ergebnisse
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Enabling Large-Scale Condensed-Phase Hybrid Density Functio..:
Ko, Hsin-Yu
;
Jia, Junteng
;
Santra, Biswajit
...
Journal of Chemical Theory and Computation. 16 (2020) 6 - p. 3757-3785 , 2020
Link:
https://doi.org/10.1021/acs.jctc.9b01167
RT Journal T1 <Title>Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.9b01167&Exemplar=1&LAN=DE A1 Ko, Hsin-Yu A1 Jia, Junteng A1 Santra, Biswajit A1 Wu, Xifan A1 Car, Roberto A1 DiStasio Jr., Robert A. PB American Chemical Society (ACS) YR 2020 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 16 IS 6 SP 3757 OP 3785 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.9b01167 DO https://doi.org/10.1021/acs.jctc.9b01167 SF ELIB - SuUB Bremen
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