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DFT Calculations of Comparative Energetics and ENDOR/Mössbauer Properties for Two Protonation States of the Iron Dimer Cluster of Ribonucleotide Reductase Intermediate X

Two models (I and II) for the active site structure of class-I ribonucleotide reductase (RNR) intermediate X in subunit R2 have been studied in this paper, using broken-symmetry density functional theory (DFT) incorporated with the conductor like screening (COSMO) solvation model and with the finite...

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書誌詳細
主要な著者: Han, Wen-Ge, Noodleman, Louis
フォーマット: Artigo
言語:Inglês
出版事項: 2009
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC2746754/
https://ncbi.nlm.nih.gov/pubmed/19623405
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/b903847g
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