Quantum chemical calculations of reduction potentials of AnO 22+/AnO2+ (An = U, Np, Pu, Am) and Fe3+/Fe2+ couples

Journal of Physical Chemistry A

Volumn 110, Issue 29, 2006, Pages 9175-9182

  Tsushima, Satoru ^a   Wahlgren, Ulf ^a   Grenthe, Ingmar ^b  

^a ALBANOVA UNIVERSITY CENTER   (Sweden)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ENTROPY; HYDRATION; MATHEMATICAL MODELS; OXIDES; POSITIVE IONS; REDOX REACTIONS;

POLARIZABLE CONDUCTOR MODEL (PCM); REDUCTION POTENTIALS; SPIN-ORBIT EFFECTS;

QUANTUM THEORY;

EID: 33746978774     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp062295u     Document Type: Article

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