Mechanisms of water exchange between lanthanide(II) aqua ions [Ln(H 2O)n]3+ and bulk water: A molecular dynamics simulation approach including high-pressure effects

Chemistry - A European Journal

Volumn 2, Issue 3, 1996, Pages 285-294

  Kowall, Thomas ^a   Foglia, François ^a   Helm, Lothar ^a   Merbach, André E ^a  

^a UNIVERSITY OF LAUSANNE   (Switzerland)

Author keywords

Computer simulations; High pressure chemistry; Lanthanide complexes; Ligand exchange; Mechanistic studies

Indexed keywords

HIGH-PRESSURE CHEMISTRY; LANTHANIDE COMPLEX; LIGAND EXCHANGES; MECHANISTIC STUDIES; MICROSCOPIC MECHANISMS; MOLECULAR DYNAMICS SIMULATIONS; TRICAPPED TRIGONAL PRISMS; WATER EXCHANGE REACTIONS;

ADDITION REACTIONS; COMPUTER SIMULATION; COORDINATION REACTIONS; GEOMETRY; HYDRATION; ION EXCHANGE; IONS; MOLECULAR DYNAMICS; MOLECULES; SHELLS (STRUCTURES); YTTERBIUM;

SAMARIUM;

EID: 0000739688     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.19960020309     Document Type: Article

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