scholarly journals Transition State Search Using rPM6: Iron- and Manganese-Catalyzed Oxidation Reactions as a Test Case

2018 ◽  
Vol 91 (9) ◽  
pp. 1377-1389 ◽  
Author(s):  
Toru Saito ◽  
Yu Takano
Keyword(s):  
Transition State ◽  
Test Case ◽  
Oxidation Reactions ◽  
Transition State Search ◽  
Catalyzed Oxidation ◽  
Iron And Manganese

scholarly journals Heme and Nonheme High-Valent Iron and Manganese Oxo Cores in Biological and Abiological Oxidation Reactions

2018 ◽  
Vol 5 (1) ◽  
pp. 13-28 ◽  
Author(s):  
Mian Guo ◽  
Teresa Corona ◽  
Kallol Ray ◽  
Wonwoo Nam
Keyword(s):  
Oxidation Reactions ◽  
High Valent ◽  
Iron And Manganese

Transition State Search Using a Guided Direct Inversion in the Iterative Subspace Method

2012 ◽  
Vol 8 (12) ◽  
pp. 5175-5179 ◽  
Author(s):  
Joseph W. May ◽  
Jeremy D. Lehner ◽  
Michael J. Frisch ◽  
Xiaosong Li
Keyword(s):  
Transition State ◽  
Subspace Method ◽  
Direct Inversion ◽  
Transition State Search

The mechanistic aspects of iron(III) porphyrin catalyzed oxidation reactions in mixed solvents

2011 ◽  
Vol 372 (1) ◽  
pp. 295-303 ◽  
Author(s):  
Amit Singh ◽  
Arunava Agarwala ◽  
Kaliappan Kamaraj ◽  
Debkumar Bandyopadhyay
Keyword(s):  
Mixed Solvents ◽  
Oxidation Reactions ◽  
Catalyzed Oxidation

scholarly journals Substrate Conformation Correlates with the Outcome of Hyoscyamine 6β-Hydroxylase Catalyzed Oxidation Reactions

2018 ◽  
Vol 140 (24) ◽  
pp. 7433-7436 ◽  
Author(s):  
Richiro Ushimaru ◽  
Mark W. Ruszczycky ◽  
Wei-chen Chang ◽  
Feng Yan ◽  
Yung-nan Liu ◽  
...  
Keyword(s):  
Oxidation Reactions ◽  
Substrate Conformation ◽  
Catalyzed Oxidation
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