Theoretical studies of the properties and solution chemistry of AnO22+ and AnO2+ aquo complexes for An = U, Np, and Pu

Journal of Physical Chemistry A

Volumn 104, Issue 26, 2000, Pages 6259-6270

  Hay, P Jeffrey ^a   Martin, Richard L ^a   Schreckenbach, Georg ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; ELECTRONIC STRUCTURE; FREE ENERGY; GROUND STATE; HYDROLYSIS; INFRARED SPECTROSCOPY; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; OXIDATION; PROBABILITY DENSITY FUNCTION; RAMAN SPECTROSCOPY;

DIELECTRIC CONTINUUM MODEL; MULTIPLET SPLITTING; RELATIVISTIC EFFECTIVE CORE POTENTIALS; SINGLE CONFIGURATION WAVE FUNCTIONS; SPIN ORBIT INTERACTION;

OXIDES;

EID: 0034227357     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp000519h     Document Type: Article

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