Simulation of Calcium Phosphate Pre-Nucleation Clusters in Aqueous Solution: Association Beyond Ion Pairing

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Simulation of Calcium Phosphate Pre-Nucleation Clusters in Aqueous Solution: Association Beyond Ion Pairing

© 2019 American Chemical Society. 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 o...

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Bibliographic Details
Main Authors:	Garcia, Natalya, Innocenti Malini, R., Freeman, C., Demichelis, Raffaella, Raiteri, Paolo, Sommerdijk, N., Harding, J., Gale, Julian
Format:	Journal Article
Language:	English
Published:	American Chemical Society 2019
Subjects:	Science & Technology Physical Sciences Technology Chemistry, Multidisciplinary Crystallography Materials Science, Multidisciplinary Chemistry Materials Science MOLECULAR-DYNAMICS SIMULATIONS POSNERS CLUSTER FORCE-FIELD HYDROXYAPATITE NUCLEATION THERMODYNAMICS GROWTH MODEL WATER ACID
Online Access:	http://purl.org/au-research/grants/arc/DP160100677 http://hdl.handle.net/20.500.11937/77068

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