A theoretical assessment of the primary hydration shell formation for calcium pyrophosphate
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DOI: 10.1016/j.molstruc.2019.04.077
Abstract: Abstract The hydration behaviour of calcium pyrophosphate (CPP) was investigated via Density Functional Quantum mechanical calculations (DFT), carried out on isolated monomeric CPP-water complexes. Formation free energies for the first hydration shell shows that hydrates… read more here.
Keywords: primary hydration; water; hydration shell; calcium pyrophosphate ... See more keywords