Characterization of structure and dynamics of an aqueous scandium(iii) ion by an extended ab initio QM/MM molecular dynamics simulation

Viwat Vchirawongkwin, Chinapong Kritayakornupong, Anan Tongraar, Bernd M. Rode
  • Dalton Transactions, January 2012, Royal Society of Chemistry
  • DOI: 10.1039/c2dt31117h
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