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Density Functional Theory of the Water Splitting Reaction on Fe(0): Comparison of Local and Nonlocal Correlation Functionals

Density Functional Theory of the Water Splitting Reaction on Fe(0): Comparison of Local and Nonlocal Correlation Functionals

Bao, Junwei Lucas; Yu, Haoyu S.; Duanmu, Kaining; Makeev, Maxim A.; Xu, Xuefei; Truhlar, Donald G.
  • 期刊名称ACS Catalysis
  • 作者Bao, Junwei Lucas; Yu, Haoyu S.; Duanmu, Kaining; Makeev, Maxim A.; Xu, Xuefei; Truhlar, Donald G.
  • 卷第5卷
  • 期第4期
  • 印刷ISSN2155-5435
  • 电子ISSN2155-5435
  • 文件大小3618.87KB
  • 发表时间2015-04-03
  • DOI10.1021/cs501675t
  • 页码2070-2080
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