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1 Ergebnisse
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Ab Initio QM/MM Simulation with Proper Sampling: "First Pr..:
Štrajbl, Marek
;
Hong, Gongyi
;
Warshel, Arieh
The Journal of Physical Chemistry B. 106 (2002) 51 - p. 13333-13343 , 2002
Link:
https://doi.org/10.1021/jp021625h
RT Journal T1 <Title>Ab Initio QM/MM Simulation with Proper Sampling: "First Principle" Calculations of the Free Energy of the Autodissociation of Water in Aqueous Solution</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_jp021625h&Exemplar=1&LAN=DE A1 Štrajbl, Marek A1 Hong, Gongyi A1 Warshel, Arieh PB American Chemical Society (ACS) YR 2002 SN 1520-6106 SN 1520-5207 JF The Journal of Physical Chemistry B VO 106 IS 51 SP 13333 OP 13343 LK http://dx.doi.org/https://doi.org/10.1021/jp021625h DO https://doi.org/10.1021/jp021625h SF ELIB - SuUB Bremen
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