Parameterization and validation of solvation corrected atomic radii

Journal of Physical Chemistry A

Volumn 113, Issue 43, 2009, Pages 12028-12034

  Zuo, Chun Shan ^a,c   Wiest, Olaf ^b   Wu, Yun Dong ^a,c,d  

^a PEKING UNIVERSITY   (China)

^b UNIVERSITY OF NOTRE DAME   (United States)

^c PEKING UNIVERSITY   (China)

^d HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SOLUTIONS; ATOMIC RADIUS; B3LYP CALCULATIONS; BASIS SETS; BINDING FREE ENERGY; BIPYRIDINES; CALIXARENES; COMPUTATIONAL TOOLS; CONTINUUM MODEL; IMPLICIT SOLVENT MODEL; INTEGRAL EQUATION FORMALISMS; ION RADII; IONIC HYDRATION; IONIC RADIUS; METAL ATOMS; METAL-LIGAND COMPLEXES; PHENANTHROLINE COMPLEXES; POLARIZABLE CONTINUUM MODEL; SIMPLE METHOD; STABILITY CONSTANTS; STANDARD DEVIATION; TOXIC METALS;

BINDING ENERGY; CALCIUM; COMPLEXATION; CONTINUUM MECHANICS; DIFFUSERS (OPTICAL); FREE ENERGY; HYDRATION; LIGANDS; METAL IONS; METALS; PHENOLS; PYRIDINE; TOXIC MATERIALS;

METAL RECOVERY;

EID: 70350398132     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp905865g     Document Type: Article

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