Theoretical Study of the Proton Transfer between Water and [FeH(CO)4]-in Aqueous Solution and Relevance to the Water-Gas Shift Reaction Catalyzed by Iron Pentacarbonyl in the Condensed Phase

2001 ◽  
Vol 20 (7) ◽  
pp. 1310-1316 ◽  
Author(s):  
Claudio Amovilli ◽  
Franca Maria Floris ◽  
Miquel Solà ◽  
Jacopo Tomasi
Keyword(s):  
Aqueous Solution ◽  
Proton Transfer ◽  
Condensed Phase ◽  
Theoretical Study ◽  
Iron Pentacarbonyl ◽  
Water Gas Shift ◽  
Water Gas Shift Reaction ◽  
Shift Reaction ◽  
Water Gas

Promotion of the water–gas shift reaction by pre-adsorbed oxygen on Cu(hkl) surfaces: a theoretical study

2004 ◽  
Vol 710 (1-3) ◽  
pp. 97-104 ◽  
Author(s):  
Ling Jiang ◽  
Gui-Chang Wang ◽  
Zun-Sheng Cai ◽  
Yin-Ming Pan ◽  
Xue-Zhuang Zhao
Keyword(s):  
Theoretical Study ◽  
Water Gas Shift ◽  
Adsorbed Oxygen ◽  
Water Gas Shift Reaction ◽  
Shift Reaction ◽  
Water Gas

Influence of the monoclinic and tetragonal zirconia phases on the water gas shift reaction. A theoretical study

2013 ◽  
Vol 19 (7) ◽  
pp. 2885-2891 ◽  
Author(s):  
María Luisa Cerón ◽  
Barbara Herrera ◽  
Paulo Araya ◽  
Francisco Gracia ◽  
Alejandro Toro-Labbé
Keyword(s):  
Theoretical Study ◽  
Tetragonal Zirconia ◽  
Water Gas Shift ◽  
Water Gas Shift Reaction ◽  
Shift Reaction ◽  
Water Gas

A Systematic Theoretical Study of Water Gas Shift Reaction on Cu(111) and Cu(110): Potassium Effect

ACS Catalysis ◽  
2019 ◽  
Vol 9 (3) ◽  
pp. 2261-2274 ◽  
Author(s):  
Yan-Xin Wang ◽  
Gui-Chang Wang
Keyword(s):  
Theoretical Study ◽  
Water Gas Shift ◽  
Water Gas Shift Reaction ◽  
Potassium Effect ◽  
Shift Reaction ◽  
Water Gas

A Theoretical Study of the Water–Gas-Shift Reaction on Cu6TM (TM = Co, Ni, Cu, Rh, Pd, Ag, Ir, Pt, Au) Clusters

2015 ◽  
Vol 27 (2) ◽  
pp. 523-535 ◽  
Author(s):  
Zhaoru Cao ◽  
Ling Guo ◽  
Naying Liu
Keyword(s):  
Theoretical Study ◽  
Water Gas Shift ◽  
Water Gas Shift Reaction ◽  
Au Clusters ◽  
Shift Reaction ◽  
Water Gas

Mechanisms of the Water−Gas-Shift Reaction by Iron Pentacarbonyl in the Gas Phase

2008 ◽  
Vol 47 (19) ◽  
pp. 8635-8640 ◽  
Author(s):  
Xavier Rozanska ◽  
Rodolphe Vuilleumier
Keyword(s):  
Gas Phase ◽  
Iron Pentacarbonyl ◽  
Water Gas Shift ◽  
Water Gas Shift Reaction ◽  
Shift Reaction ◽  
Water Gas

Theoretical study of a membrane reactor for the water gas shift reaction under nonisothermal conditions

AIChE Journal ◽  
2009 ◽  
Vol 55 (12) ◽  
pp. 3206-3213 ◽  
Author(s):  
María E. Adrover ◽  
Eduardo López ◽  
Daniel O. Borio ◽  
Marisa N. Pedernera
Keyword(s):  
Membrane Reactor ◽  
Theoretical Study ◽  
Water Gas Shift ◽  
Water Gas Shift Reaction ◽  
Shift Reaction ◽  
Water Gas ◽  
Nonisothermal Conditions

Surface Structure Sensitivity of the Water−Gas Shift Reaction on Cu(hkl) Surfaces:  A Theoretical Study

2003 ◽  
Vol 107 (2) ◽  
pp. 557-562 ◽  
Author(s):  
Wang ◽  
Ling Jiang ◽  
Cai ◽  
Pan ◽  
Zhao ◽  
...  
Keyword(s):  
Surface Structure ◽  
Theoretical Study ◽  
Structure Sensitivity ◽  
Water Gas Shift ◽  
Water Gas Shift Reaction ◽  
Shift Reaction ◽  
Water Gas

scholarly journals Theoretical Study on Menchanism of Water-Gas Shift Reaction Catalyzed by Binary Copper Cluster

2015 ◽  
Vol 73 (4) ◽  
pp. 343 ◽  
Author(s):  
Ningning Ren ◽  
Ling Guo ◽  
Xiaona Dong ◽  
Caixia Wen
Keyword(s):  
Theoretical Study ◽  
Water Gas Shift ◽  
Copper Cluster ◽  
Water Gas Shift Reaction ◽  
Shift Reaction ◽  
Water Gas
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