A Density Functional Study of the Completion of the Methane Monooxygenase Catalytic Cycle. Methanol Complex to MMOH Resting State

2001 ◽  
Vol 105 (35) ◽  
pp. 8452-8460 ◽  
Author(s):  
Harold Basch ◽  
Djamaladdin G. Musaev ◽  
Keiji Morokuma
Keyword(s):  
Resting State ◽  
Density Functional ◽  
Methane Monooxygenase ◽  
Catalytic Cycle ◽  
Functional Study ◽  
Density Functional Study

Methanol Carbonylation Catalyzed by the Anion of the Complex Dicarbonyldiiodorhodium(I). A Density Functional Study of the Catalytic Cycle

2001 ◽  
Vol 20 (6) ◽  
pp. 1161-1174 ◽  
Author(s):  
Elena A. Ivanova ◽  
Philip Gisdakis ◽  
Vladimir A. Nasluzov ◽  
Anatoly I. Rubailo ◽  
Notker Rösch
Keyword(s):  
Density Functional ◽  
Catalytic Cycle ◽  
Functional Study ◽  
Density Functional Study ◽  
Methanol Carbonylation

Density functional study of the catalytic cycle of nickel–iron [NiFe] hydrogenases and the involvement of high-spin nickel(II)

2006 ◽  
Vol 11 (3) ◽  
pp. 286-306 ◽  
Author(s):  
Alejandro Pardo ◽  
Antonio L. De Lacey ◽  
Víctor M. Fernández ◽  
Hua-Jun Fan ◽  
Yubo Fan ◽  
...  
Keyword(s):  
High Spin ◽  
Density Functional ◽  
Catalytic Cycle ◽  
Functional Study ◽  
Density Functional Study ◽  
Nickel Iron

Density functional study on the mechanism of direct N-acylation reaction of lactams with aldehydes catalyzed by Shvo's catalyst

2015 ◽  
Vol 2 (8) ◽  
pp. 961-967
Author(s):  
Qian Liu ◽  
Xi Lu ◽  
Xiaomin Sun ◽  
Xian Zhao
Keyword(s):  
Density Functional ◽  
Catalytic Cycle ◽  
Functional Study ◽  
Acylation Reaction ◽  
Density Functional Study

The catalytic cycle of N-acylation of lactams with aldehydes, catalyzed by Shvo's catalyst.

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