Density functional study on geometry and electronic structure of nitrile hydratase active site model

2002 ◽  
Vol 90 (3) ◽  
pp. 1174-1187 ◽  
Author(s):  
W. Nowak ◽  
Y. Ohtsuka ◽  
J. Hasegawa ◽  
H. Nakatsuji
Keyword(s):  
Electronic Structure ◽  
Active Site ◽  
Density Functional ◽  
Nitrile Hydratase ◽  
Functional Study ◽  
Density Functional Study ◽  
Site Model ◽  
Active Site Model

scholarly journals Density Functional Study on the Formation of Sulfur-doped Configuration on the Active Site of Pyrolyzed Fe/N/C Catalyst

2019 ◽  
Vol 1204 ◽  
pp. 012119
Author(s):  
Adhitya Gandaryus Saputro ◽  
Apresio Kefin Fajrial ◽  
Mohammad Kemal Agusta ◽  
Hermawan Kresno Dipojono
Keyword(s):  
Active Site ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

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

scholarly journals Geometrical and Electronic Structure of the Pt7 Cluster: A Density Functional Study.

ChemInform ◽  
2004 ◽  
Vol 35 (27) ◽  
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 ◽  
Cluster A
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