Ligands for selective metal ion extraction: A molecular modeling approach

Desalination

Volumn 232, Issue 1-3, 2008, Pages 181-190

  Ali, Sk Musharaf ^a   Maity, Dilip K ^a   De, Sulagna ^a   Shenoi, M R K ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

Density functional theory; Macrocyclic crown ether; Metal ion; Molecular modeling; Solvent extraction

Indexed keywords

LIGHT METALS; LITHIUM; METAL IONS; PROBABILITY DENSITY FUNCTION;

MACROCYCLIC CROWN ETHER; METAL ION; MOLECULAR MODELING; MOLECULAR MODELLING; SOLVENT EXTRACTION;

DENSITY FUNCTIONAL THEORY;

EXTRACTION; LIGAND; MODELING; MOLECULAR ANALYSIS;

EID: 50949084044     PISSN: 00119164     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.desal.2007.09.017     Document Type: Article

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