Equilibrium Geometries and Electronic Structure of Iron−Porphyrin Complexes:  A Density Functional Study

1997 ◽  
Vol 101 (47) ◽  
pp. 8914-8925 ◽  
Author(s):  
Carme Rovira ◽  
Karel Kunc ◽  
Jürg Hutter ◽  
Pietro Ballone ◽  
Michele Parrinello
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Functional Study ◽  
Iron Porphyrin ◽  
Density Functional Study ◽  
Iron Porphyrin Complexes ◽  
Equilibrium Geometries

A density functional study of iron-porphyrin complexes

1997 ◽  
Vol 271 (4-6) ◽  
pp. 247-250 ◽  
Author(s):  
Carme Rovira ◽  
Pietro Ballone ◽  
Michele Parrinello
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Iron Porphyrin ◽  
Density Functional Study ◽  
Iron Porphyrin Complexes

Geometrical and Electronic Structure of the Pt7Cluster:  A Density Functional Study

2004 ◽  
Vol 108 (17) ◽  
pp. 3806-3812 ◽  
Author(s):  
Wei Quan Tian ◽  
Maofa Ge ◽  
B. R. Sahu ◽  
Dianxun Wang ◽  
Toshiki Yamada ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study
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