Simulation of Calcium Phosphate Prenucleation Clusters in Aqueous Solution: Association beyond Ion Pairing

[Image: see text] Classical molecular dynamics simulations and free energy methods have been used to obtain a better understanding of the molecular processes occurring prior to the first nucleation event for calcium phosphate biominerals. The association constants for the formation of negatively cha...

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Vydáno v:Cryst Growth Des
Hlavní autoři: Garcia, Natalya A., Malini, Riccardo Innocenti, Freeman, Colin L., Demichelis, Raffaella, Raiteri, Paolo, Sommerdijk, Nico A. J. M., Harding, John H., Gale, Julian D.
Médium: Artigo
Jazyk:Inglês
Vydáno: American Chemical Society 2019
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7011744/
https://ncbi.nlm.nih.gov/pubmed/32063806
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.cgd.9b00889
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