Ab initio molecular dynamics study of water oxidation reaction pathways in mono-Ru catalysts.
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Assessment of density functional methods for reaction energetics: iridium-catalyzed water oxidation as case study.Introducing a closed system approach for the investigation of chemical steps involving proton and electron transfer; as illustrated by a copper-based water oxidation catalyst.Computational Modeling of Cobalt-Based Water Oxidation: Current Status and Future Challenges.
P2860
Ab initio molecular dynamics study of water oxidation reaction pathways in mono-Ru catalysts.
description
2011 nî lūn-bûn
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2011年の論文
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2011年学术文章
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2011年学术文章
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2011年学术文章
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2011年学术文章
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2011年學術文章
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name
Ab initio molecular dynamics s ...... pathways in mono-Ru catalysts.
@en
Ab initio molecular dynamics s ...... pathways in mono-Ru catalysts.
@nl
type
label
Ab initio molecular dynamics s ...... pathways in mono-Ru catalysts.
@en
Ab initio molecular dynamics s ...... pathways in mono-Ru catalysts.
@nl
prefLabel
Ab initio molecular dynamics s ...... pathways in mono-Ru catalysts.
@en
Ab initio molecular dynamics s ...... pathways in mono-Ru catalysts.
@nl
P2093
P2860
P356
P1433
P1476
Ab initio molecular dynamics s ...... pathways in mono-Ru catalysts
@en
P2093
Francesco Buda
José Luis Vallés-Pardo
Khurram S Joya
Marcella Iannuzzi
Marieke C Guijt
P2860
P304
P356
10.1002/CPHC.201100546
P577
2011-12-28T00:00:00Z