Most stable structures of polyhydroxylated endohedral metallofullerene Gd@C82(OH)x (x = 1-24) from density function theory

Chemical Physics Letters

Volumn 492, Issue 1-3, 2010, Pages 68-70

  Zhang, Junfeng ^a   Li, Fengyu ^b   Miao, Xiangyang ^a   Zhao, Jijun ^b   Jing, Long ^c   Yang, Guohui ^a   Jia, Xiangfu ^a  

^a SHANXI NORMAL UNIVERSITY   (China)

^b DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^c INSTITUTE OF HIGH ENERGY PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON ATOMS; DENSITY FUNCTION THEORY; DENSITY FUNCTIONAL THEORY CALCULATIONS; ENDOHEDRAL FULLERENE; ENDOHEDRAL METALLOFULLERENES; FIVE-MEMBERED RINGS; HYDROXYL GROUPS; METALLOFULLERENES; SIX-MEMBERED RINGS; STABLE STRUCTURES; STRUCTURAL ISOMERS;

FULLERENES; GADOLINIUM; HYDROXYLATION; ISOMERS;

DENSITY FUNCTIONAL THEORY;

EID: 77953291042     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.04.007     Document Type: Article

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