scholarly journals Energetic Effects of a Closed System Approach Including Explicit Proton and Electron Acceptors as Demonstrated by a Mononuclear Ruthenium Water Oxidation Catalyst

ChemCatChem ◽  
2018 ◽  
Vol 10 (20) ◽  
pp. 4594-4601 ◽  
Author(s):  
Jessica M. de Ruiter ◽  
Huub J. M. de Groot ◽  
Francesco Buda
2017 ◽  
Vol 19 (6) ◽  
pp. 4208-4215 ◽  
Author(s):  
Jessica M. de Ruiter ◽  
Francesco Buda

We present an ab initio molecular dynamics approach to characterize proton-coupled electron transfer catalytic steps and identify the preferred reaction mechanism.


ACS Catalysis ◽  
2016 ◽  
Vol 6 (9) ◽  
pp. 5699-5705 ◽  
Author(s):  
Nagaraju Shilpa ◽  
Joydeb Manna ◽  
Parasmani Rajput ◽  
Rohit Kumar Rana

2016 ◽  
Vol 27 (27) ◽  
pp. 275401 ◽  
Author(s):  
Sang Cheol Jung ◽  
Soong Leong Sim ◽  
Ying Woan Soon ◽  
Chee Ming Lim ◽  
Peter Hing ◽  
...  

2014 ◽  
Vol 53 (37) ◽  
pp. 9856-9859 ◽  
Author(s):  
Wei-Tsung Lee ◽  
Salvador B. Muñoz ◽  
Diane A. Dickie ◽  
Jeremy M. Smith

2013 ◽  
Vol 136 (1) ◽  
pp. 273-281 ◽  
Author(s):  
Teng Zhang ◽  
Cheng Wang ◽  
Shubin Liu ◽  
Jin-Liang Wang ◽  
Wenbin Lin

2013 ◽  
Vol 53 (1) ◽  
pp. 205-209 ◽  
Author(s):  
Isidoro López ◽  
Mehmed Z. Ertem ◽  
Somnath Maji ◽  
Jordi Benet-Buchholz ◽  
Anke Keidel ◽  
...  

2018 ◽  
Vol 90 (20) ◽  
pp. 12322-12322
Author(s):  
Rafael Müeller ◽  
Ilya Kuznetsov ◽  
Yunieski Arbelo ◽  
Matthias Trottmann ◽  
Carmen S. Menoni ◽  
...  

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