A density functional study of alizarin two of its isomers and its transition metals and rare-earth complexes

2002 ◽  
Vol 594 (3) ◽  
pp. 135-145 ◽  
Author(s):  
N Komiha ◽  
O.K Kabbaj ◽  
M Chraibi
Keyword(s):  
Rare Earth ◽  
Transition Metals ◽  
Density Functional ◽  
Rare Earth Complexes ◽  
Functional Study ◽  
Density Functional Study

Electronic behavior of rare-earth dopants in AlN: A density-functional study

2005 ◽  
Vol 72 (7) ◽  
Author(s):  
S. Petit ◽  
R. Jones ◽  
M. J. Shaw ◽  
P. R. Briddon ◽  
B. Hourahine ◽  
...  
Keyword(s):  
Rare Earth ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Electronic Behavior

The adsorption of nitrogen oxides and water on rare-earth ion-exchanged ZSM-5: a density functional study

2002 ◽  
Vol 202 (3-4) ◽  
pp. 283-288 ◽  
Author(s):  
Yi Luo ◽  
Xiaohong Wan ◽  
Yuki Ito ◽  
Seiichi Takami ◽  
Momoji Kubo ◽  
...  
Keyword(s):  
Rare Earth ◽  
Nitrogen Oxides ◽  
Density Functional ◽  
Functional Study ◽  
Rare Earth Ion ◽  
Density Functional Study ◽  
Adsorption Of Nitrogen

A relativistic density functional study of Sin (n=7–13) clusters with rare earth ytterbium impurity

2010 ◽  
Vol 372 (1-3) ◽  
pp. 89-95 ◽  
Author(s):  
Run-Ning Zhao ◽  
Ju-Guang Han ◽  
Jin-Tao Bai ◽  
Fu-Yi Liu ◽  
Liu-Si Sheng
Keyword(s):  
Rare Earth ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

Density Functional Study of Tetraphenolate and Calix[4]arene Complexes of Early Transition Metals

2001 ◽  
Vol 40 (7) ◽  
pp. 1544-1549 ◽  
Author(s):  
Simona Fantacci ◽  
Antonio Sgamellotti ◽  
Nazzareno Re ◽  
Carlo Floriani
Keyword(s):  
Transition Metals ◽  
Density Functional ◽  
Functional Study ◽  
Arene Complexes ◽  
Density Functional Study ◽  
Early Transition

A density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metals

2014 ◽  
Vol 16 (28) ◽  
pp. 14514 ◽  
Author(s):  
M. Gruden-Pavlović ◽  
S. Stepanović ◽  
M. Perić ◽  
M. Güell ◽  
M. Swart
Keyword(s):  
Transition Metals ◽  
Spin State ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study
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