What is it about?
Calcium phosphates originate from prenucleation complexes already present in solution before nucleation. In the literature, a calcium triphosphate complex is proposed as prenucleation stage. We have investigated the stability of the complex hypothesized in the literature using computational tools (Ab Initio Molecular Dynamics and Umbrella Sampling technique)
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Why is it important?
Computational tools provide information on a timescale inaccessible to the experiment
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This page is a summary of: Calcium Phosphate Prenucleation Complexes in Water by Means of ab Initio Molecular Dynamics Simulations, Crystal Growth & Design, April 2016, American Chemical Society (ACS),
DOI: 10.1021/acs.cgd.6b00327.
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