How can uranium ions (U+, U2+) activate the O-H bond of water in the gas phase?

Angewandte Chemie - International Edition

Volumn 45, Issue 7, 2006, Pages 1095-1099

  Michelini, Maria Del Carmen ^a   Russo, Nino ^a   Sicilia, Emilia ^a  

^a UNIVERSITY OF CALABRIA   (Italy)

Author keywords

Actinides; Density functional calculations; Gas phase chemistry; O H activation

Indexed keywords

ACTINIDES; CHEMICAL BONDS; PROBABILITY DENSITY FUNCTION; WATER;

DENSITY FUNCTIONAL CALCULATIONS; GAS-PHASE CHEMISTRY; O-H ACTIVATION;

URANIUM;

EID: 33746299500     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200501931     Document Type: Article

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12. 2+ = 0.57073732) correspond to relative energies with respect to the fragments, as implemented in the ADF package.