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Journal of the American Chemical Society

Volumn 123, Issue 48, 2001, Pages 11999-12008

The mechanism for water exchange in [UO2(H2O)5]2+ and [UO2(oxalate)2(H2O)]2-, as studied by quantum chemical methods

(5) Vallet, V a,b Wahlgren, U a Schimmelpfennig, B c Szabo Z c Grenthe, I c

a STOCKHOLM UNIVERSITY (Sweden)

b European Theoretical Spectroscopy Facility (France)

c ROYAL INSTITUTE OF TECHNOLOGY (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

TRANSITION STATES; WATER EXCHANGE;

ACTIVATION ENERGY; MOLECULES; SOLVENTS; URANIUM DIOXIDE;

WATER;

LIGAND; OXALIC ACID DERIVATIVE; SOLVENT; URANIUM DERIVATIVE; WATER;

ARTICLE; CALCULATION; DISSOCIATION; ENERGY; GAS; GEOMETRY; PHASE TRANSITION; POLARIZATION; QUANTUM CHEMISTRY; REACTION ANALYSIS; WATER TRANSPORT;

EID: 0035814380 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja015935+ Document Type: Article

Times cited : (124)

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