A density functional theory study of complex species and reactions of Am(III)/Eu(III) with nitrate anions

Molecular Simulation

Volumn 40, Issue 5, 2014, Pages 379-386

  Xi, Juan ^a,b   Lan, Jian Hui ^b   Lu, Gui Wu ^a   Zhao, Yu Liang ^b   Chai, Zhi Fang ^b,c   Shi, Wei Qun ^b  

^a CHINA UNIVERSITY OF PETROLEUM   (China)

^b INSTITUTE OF HIGH ENERGY PHYSICS   (China)

^c SOOCHOW UNIVERSITY   (China)

Author keywords

Am(III) Eu(III); Coordination; DFT; Nitrate

Indexed keywords

COMPLEXATION REACTION; CONDUCTOR LIKE SCREENING MODELS; COORDINATION; DENSITY FUNCTIONAL THEORY STUDIES; DFT; EFFECTIVE CORE POTENTIAL; IMPLICIT SOLVENT MODEL; IONIC EXCHANGE REACTION;

COMPLEXATION; DENSITY FUNCTIONAL THEORY; GIBBS FREE ENERGY; IONS; NITRATES; SOLVENTS;

COORDINATION REACTIONS;

EID: 84892146753     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2013.812208     Document Type: Article

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