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Quantum cluster size and solvent polarity effects on the geometries and Mössbauer properties of the active site model for ribonucleotide reductase intermediate X: a density functional theory study

In studying the properties of metalloproteins using ab initio quantum mechanical methods, one has to focus on the calculations on the active site. The bulk protein and solvent environment is often neglected, or is treated as a continuum dielectric medium with a certain dielectric constant. The size...

詳細記述

保存先:
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: 2010
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC2863024/
https://ncbi.nlm.nih.gov/pubmed/20445806
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00214-009-0566-4
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