Quantum chemical calculations and experimental investigations of molecular actinide oxides
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.
KOVACS Attila;
KONINGS Rudy;
GIBSON John K.;
INFANTE Ivan;
GAGLIARDI Laura;
2015-05-07
AMER CHEMICAL SOC
JRC89293
0009-2665,
https://publications.jrc.ec.europa.eu/repository/handle/JRC89293,
10.1021/cr500426s,
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