On the combined use of discrete solvent models and continuum descriptions of solvent effects in ligand exchange reactions: A case study of the uranyl(VI) aquo ion

Theoretical Chemistry Accounts

Volumn 124, Issue 5-6, 2009, Pages 377-384

  Wåhlin, Pernilla ^a   Schimmelpfennig, Bernd ^b   Wahlgren, Ulf ^a,c   Grenthe, Ingmar ^d   Vallet, Valérie ^e  

^a STOCKHOLM UNIVERSITY   (Sweden)

^b KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^c ALBANOVA UNIVERSITY CENTER   (Sweden)

^d ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^e UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

Author keywords

Actinide; Quantum chemistry; Solvent models; Water exchange

Indexed keywords

EID: 77949875460     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0627-8     Document Type: Article

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