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2020 ◽  
Vol 142 (32) ◽  
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Author(s):  
Pengfei Li ◽  
Alexander V. Soudackov ◽  
Brian Koronkiewicz ◽  
James M. Mayer ◽  
Sharon Hammes-Schiffer
Keyword(s):  
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scholarly journals Theoretical Study of C–H Bond Cleavage via Concerted Proton-Coupled Electron Transfer in Fluorenyl-Benzoates

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pp. 15641-15645 ◽  
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Zachary K. Goldsmith ◽  
Sharon Hammes-Schiffer
Keyword(s):  
Electron Transfer ◽  
Theoretical Study ◽  
Bond Cleavage ◽  
Proton Coupled Electron Transfer

scholarly journals Proton-coupled Electron Transfer Reactivities of Electronically Divergent Heme Superoxide Intermediates: A Kinetic, Thermodynamic, and Theoretical Study

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Izumi Ishigami ◽  
Emilie Gérard ◽  
Chaeeun Lim ◽  
Syun-Ru Yeh ◽  
...  
Keyword(s):  
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Theoretical Study ◽  
Proton Coupled Electron Transfer

Heme superoxides are one of the most versatile metallo-intermediates in biology, and they mediate a vast variety of oxidation and oxygenation reactions involving O¬2(g). Overall proton-coupled electron transfer (PCET) processes...

scholarly journals Theoretical study of kinetics of proton coupled electron transfer in photocatalysis

2020 ◽  
Vol 152 (12) ◽  
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Pu Guo ◽  
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Theoretical Study ◽  
Proton Coupled Electron Transfer ◽  
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