Geometries and Electronic Properties of the Neutral and Charged Rare Earth Yb-Doped Sin(n= 1−6) Clusters:  A Relativistic Density Functional Investigation

2006 ◽  
Vol 110 (11) ◽  
pp. 4071-4079 ◽  
Author(s):  
Run-Ning Zhao ◽  
Zhao-Yu Ren ◽  
Ping Guo ◽  
Jin-Tao Bai ◽  
Chong-Hui Zhang ◽  
...  
Keyword(s):  
Rare Earth ◽  
Electronic Properties ◽  
Density Functional ◽  
Functional Investigation

scholarly journals Structure and electronic properties of rare earth DOBDC metal–organic-frameworks

2019 ◽  
Vol 21 (41) ◽  
pp. 23085-23093 ◽  
Author(s):  
Dayton J. Vogel ◽  
Dorina F. Sava Gallis ◽  
Tina M. Nenoff ◽  
Jessica M. Rimsza
Keyword(s):  
Density Functional Theory ◽  
Rare Earth ◽  
Electronic Properties ◽  
Rare Earth Metal ◽  
Density Functional ◽  
Metal Organic Frameworks ◽  
Earth Metal ◽  
Functional Theory ◽  
Structural And Electronic Properties ◽  
Metal Organic

Density functional theory is used to investigate rare-earth metal organic frameworks (MOFs) and characterize the level of theory needed to predict structural and electronic properties in MOF materials with 4f-electrons.

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