scholarly journals On the mechanism of water oxidation catalyzed by a dinuclear ruthenium complex: a quantum chemical study

2016 ◽  
Vol 6 (13) ◽  
pp. 5031-5041 ◽  
Author(s):  
Rong-Zhen Liao ◽  
Markus D. Kärkäs ◽  
Tanja M. Laine ◽  
Björn Åkermark ◽  
Per E. M. Siegbahn
Keyword(s):  
Reaction Mechanism ◽  
Water Oxidation ◽  
Quantum Chemical ◽  
Ruthenium Complex ◽  
Quantum Chemical Study ◽  
Essential Element ◽  
Chemical Study ◽  
Oxidation Catalyst ◽  
Solar Water Splitting ◽  
Dinuclear Ruthenium

The development of efficient and robust catalysts for water oxidation is an essential element in solar water splitting. In the present paper, the reaction mechanism for a dinuclear Ru water oxidation catalyst has been investigated in detail through quantum chemical calculations.

A New Dinuclear Ruthenium Complex as an Efficient Water Oxidation Catalyst

2009 ◽  
Vol 48 (7) ◽  
pp. 2717-2719 ◽  
Author(s):  
Yunhua Xu ◽  
Torbjörn Åkermark ◽  
Viktor Gyollai ◽  
Dapeng Zou ◽  
Lars Eriksson ◽  
...  
Keyword(s):  
Water Oxidation ◽  
Ruthenium Complex ◽  
Oxidation Catalyst ◽  
Dinuclear Ruthenium

AB initio quantum chemical study of the reaction mechanism of ethynide ion formation in the C2H2/MOH/DMSO system (M = Li, Na, K)

2009 ◽  
Vol 50 (1) ◽  
pp. 27-33 ◽  
Author(s):  
E. Yu. Larionova ◽  
N. M. Vitkovskaya ◽  
V. B. Kobychev ◽  
N. V. Kaempf ◽  
A. D. Skitnevskaya ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Ion Formation ◽  
Dmso System

Quantum chemical study of the reaction mechanism of ozone and methane with fluorine and chlorine atoms

2002 ◽  
Vol 87 (5) ◽  
pp. 288-292 ◽  
Author(s):  
Lai-Cai Li ◽  
Jing Wang ◽  
Xin Wang ◽  
An-Min Tian ◽  
Ning-Bew Wong
Keyword(s):  
Reaction Mechanism ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Chlorine Atoms

Quantum Chemical Study on the Reaction Mechanism of Fast SCR Catalyzed by ZSM-5 Doped with Mn/Co–Al/Ce

2019 ◽  
Vol 44 (6) ◽  
pp. 5549-5557
Author(s):  
Zhengcheng Wen ◽  
Shengji Li ◽  
Heping Li ◽  
Yuan Li ◽  
Guangqin Wang
Keyword(s):  
Reaction Mechanism ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Fast Scr

scholarly journals Quantum Chemical Study on the Reaction Mechanism of Ozone with Fluorine Atoms

2002 ◽  
Vol 18 (01) ◽  
pp. 59-61
Author(s):  
Li Lai-Cai ◽  
◽  
Zhou Hong-Ping ◽  
Tian An-Min
Keyword(s):  
Reaction Mechanism ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study

scholarly journals Quantum chemical study of reaction mechanism between plutonium and nitrogen

2021 ◽  
Vol 27 (12) ◽  
Author(s):  
Zhao-Yang Zhao ◽  
Guo-Liang Wang ◽  
Xu-Dan Chen ◽  
Chun-Bao Qi ◽  
Xin-Li Sun
Keyword(s):  
Reaction Mechanism ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study

Quantum chemical study on aluminum selective CVD reaction mechanism

1997 ◽  
Vol 117-118 ◽  
pp. 465-471 ◽  
Author(s):  
Akitomo Tachibana ◽  
Ken Sakata ◽  
Kiyoyuki Omoto
Keyword(s):  
Reaction Mechanism ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study
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