Thermodynamic and structural features of aqueous Ce(III)

Journal of Physical Chemistry A

Volumn 112, Issue 44, 2008, Pages 11198-11206

  Dinescu, Adriana ^a   Clark, Aurora E ^b  

^a IDAHO NATIONAL LABORATORY   (United States)

^b WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CAS-SCF; DENSITY FUNCTIONALS; EXPERIMENTAL DATUMS; FREE ENERGY OF HYDRATIONS; HYDRATION SHELLS; METAL BASES; POLARIZED CONTINUUM MODELS; REACTION FIELDS; SINGLE CONFIGURATIONS; STRUCTURAL FEATURES; TEST CASES; WATER EXCHANGES;

BENCHMARKING; CERIUM COMPOUNDS; CONTINUUM MECHANICS; ELECTRONIC STRUCTURE; FREE ENERGY; FUNCTIONS; HYDRATES; HYDRATION; PROBABILITY DENSITY FUNCTION; THERMODYNAMICS; WAVE FUNCTIONS;

CERIUM;

CERIUM; WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; THERMODYNAMICS;

CERIUM; COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; QUANTUM THEORY; THERMODYNAMICS; WATER;

EID: 56349130090     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8076408     Document Type: Article

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