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Quantum Chemical Calculations and Experimental Investigations of Molecular Actinide Oxides

Attila Kovács, Rudy J. M. Konings, John K. Gibson, Ivan Infante, Laura Gagliardi

Chemical Reviews, 2015

145 citations

Abstract

Literature on gas-phase experimental and theoretical (quantum chemical) studies on actinide oxides is reviewed. The molecular properties in focus are the ground state electronic structures, geometrical parameters, vibrational frequencies, excited electronic states, electronic spectra, ionization and dissociation energies. Trends in the above data along the actinide row are discussed.

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