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1 Ergebnisse
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Improving the Accuracy of Quantum Mechanics/Molecular Mecha..:
Chen, Junbo
;
Harper, Jason B.
;
Ho, Junming
Journal of Chemical Theory and Computation. 18 (2022) 9 - p. 5607-5617 , 2022
Link:
https://doi.org/10.1021/acs.jctc.2c00491
RT Journal T1 <Title>Improving the Accuracy of Quantum Mechanics/Molecular Mechanics (QM/MM) Models with Polarized Fragment Charges</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.2c00491&Exemplar=1&LAN=DE A1 Chen, Junbo A1 Harper, Jason B. A1 Ho, Junming PB American Chemical Society (ACS) YR 2022 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 18 IS 9 SP 5607 OP 5617 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.2c00491 DO https://doi.org/10.1021/acs.jctc.2c00491 SF ELIB - SuUB Bremen
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