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Reaction Mechanism of [NiFe] Hydrogenase Studied by Computational Methods.
Dong, Geng; Phung, Quan Manh; Pierloot, Kristine; Ryde, Ulf.
Affiliation
  • Dong G; Department of Theoretical Chemistry, Chemical Centre , Lund University , P.O. Box 124, SE-221 00 Lund , Sweden.
  • Phung QM; Department of Biochemistry and Molecular Biology , Shantou University Medical College , Shantou 514041 , Guangdong , PR China.
  • Pierloot K; Department of Chemistry , KU Leuven , Celestijnenlaan 200F , B-3001 Leuven , Belgium.
  • Ryde U; Department of Chemistry , KU Leuven , Celestijnenlaan 200F , B-3001 Leuven , Belgium.
Inorg Chem ; 57(24): 15289-15298, 2018 Dec 17.
Article in En | MEDLINE | ID: mdl-30500163
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Full text: 1 Database: MEDLINE Main subject: Quantum Theory / Density Functional Theory / Hydrogenase Language: En Year: 2018 Type: Article
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Full text: 1 Database: MEDLINE Main subject: Quantum Theory / Density Functional Theory / Hydrogenase Language: En Year: 2018 Type: Article