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Efficient Empirical Valence Bond Simulations with GROMACS:
Oanca, Gabriel
;
van der Ent, Florian
;
Åqvist, Johan
Journal of Chemical Theory and Computation. 19 (2023) 17 - p. 6037-6045 , 2023
Link:
https://doi.org/10.1021/acs.jctc.3c00714
RT Journal T1 <Title>Efficient Empirical Valence Bond Simulations with GROMACS</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.3c00714&Exemplar=1&LAN=DE A1 Oanca, Gabriel A1 van der Ent, Florian A1 Åqvist, Johan PB American Chemical Society (ACS) YR 2023 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 19 IS 17 SP 6037 OP 6045 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.3c00714 DO https://doi.org/10.1021/acs.jctc.3c00714 SF ELIB - SuUB Bremen
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