195Pt NMR and DFT computational methods as tools towards the understanding of speciation and hydration/solvation of [PtX6] 2- (X = Cl-, Br-) anions in solution

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dc.contributor.authorKoch K.R.
dc.contributor.authorBurger M.R.
dc.contributor.authorKramer J.
dc.contributor.authorWestra A.N.
dc.date.accessioned2011-05-15T15:59:06Z
dc.date.available2011-05-15T15:59:06Z
dc.date.issued2006
dc.description.abstract195Pt NMR together with DFT calculations and MD simulations, offer a powerful toolkit with which to probe the hydration shells of the [PtCl6]2- anions, which may lead to a more profound understanding of the solute-solvent interactions of such complexes. © The Royal Society of Chemistry 2006.
dc.description.versionArticle
dc.identifier.citationDalton Transactions
dc.identifier.citation27
dc.identifier.issn14779226
dc.identifier.other10.1039/b605182k
dc.identifier.urihttp://hdl.handle.net/10019.1/11006
dc.subjectComplexation
dc.subjectComputational methods
dc.subjectComputer simulation
dc.subjectNuclear magnetic resonance spectroscopy
dc.subjectProbability density function
dc.subjectSolutions
dc.subjectSolvents
dc.subjectMD simulations
dc.subjectPowerful toolkit
dc.subjectSolute-solvent interactions
dc.subjectPlatinum compounds
dc.title195Pt NMR and DFT computational methods as tools towards the understanding of speciation and hydration/solvation of [PtX6] 2- (X = Cl-, Br-) anions in solution
dc.typeArticle
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