Theoretical Investigation of Ion Hydration in Clusters and Solutions
The aim of this work is to develop and implement efficient theoretical approaches based on first-principles to investigate key features of ion hydration in clusters and solutions. For this purpose, the parameter set of the self-consistent-charge density-functional tight-binding (SCC-DFTB) model, an...
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| Format: | Others |
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2013
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| Online Access: | http://spectrum.library.concordia.ca/977894/1/Jahangiri_PhD_F2013.pdf Jahangiri, Soran <http://spectrum.library.concordia.ca/view/creators/Jahangiri=3ASoran=3A=3A.html> (2013) Theoretical Investigation of Ion Hydration in Clusters and Solutions. PhD thesis, Concordia University. |