Density functional study on structures and relative stability of Gd(H 2O)n3+ (n8,9)

Chinese Journal of Chemical Physics

Volumn 22, Issue 4, 2009, Pages 395-400

  Xiao, Wei ^a   Xia, Qiong Qiong ^a   Zhang, Yong Fan ^b   Ning, Li Xin ^a   Cui, Zhi Feng ^a  

^a ANHUI NORMAL UNIVERSITY   (China)

^b FUZHOU UNIVERSITY   (China)

Author keywords

Density functional theory; Gadolinium hydrate; Polarizable continuum model; Relative stability; Solute cavity

Indexed keywords

CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; FREE ENERGY; HYDRATION; STABILITY;

DENSITY-FUNCTIONAL STUDY; FREE ENERGY OF HYDRATION; GADOLINIUM COMPLEXES; MOLECULAR GEOMETRIES; POLARIZABLE CONTINUUM MODEL; RELATIVE STABILITIES; SOLUTE CAVITY; SOLVATION SHELL;

GADOLINIUM COMPOUNDS;

EID: 70350513083     PISSN: 16740068     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-0068/22/04/395-400     Document Type: Article

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