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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

机译：量子簇尺寸和溶剂极性对核糖核苷酸还原酶中间体X的活性位点模型的几何形状和Mössbauer性质X：密度泛函理论研究

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Wen-Ge Han; Louis Noodleman;
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1. Quantum cluster size and solvent polarity effects on the geometries and Mossbauer properties of the active site model for ribonucleotide reductase intermediate X: a density functional theory study [J] . Wen-Ge Han, Louis Noodleman Theoretical chemistry accounts . 2010,第3a6期

机译：量子簇大小和溶剂极性对核糖核苷酸还原酶中间体X活性位点模型的几何形状和Mossbauer性质的影响：密度泛函理论研究
2. Density functional theory study of Fe(IV) d-d optical transitions in active-site models of class I ribonucleotide reductase intermediate X with vertical self-consistent reaction field method [J] . Han WG, Liu TQ, Lovell T, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2006,第21期

机译：垂直自洽反应场法研究I类核糖核苷酸还原酶中间体X活性位点模型中Fe（IV）d-d光学跃迁的密度泛函理论研究
3. Active Site Structure of Class Ⅰ Ribonucleotide Reductase Intermediate X: A Density Functional Theory Analysis of Structure, Energetics, and Spectroscopy [J] . Wen-Ge Han, Tiqing Liu, Timothy Lovell, Journal of the American Chemical Society . 2005,第45期

机译：Ⅰ类核糖核苷酸还原酶中间体X的活性位点结构：结构，能量学和光谱学的密度泛函理论分析
4. First-principle Study of Quantum Confinement Effect on Small Sized Silicon Quantum Dots using Density-Functional Theory [C] . M.M. Anas, A.P Othman, G. Gopir UKM FST Postgraduate Colloquium . 2014

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5. Thiolate containing N-heterocyclic amine based ligands; Investigations of intermediates in superoxide and oxygen reactivity and application towards new ligand design for modelling the active site of Superoxide Reductase. [D] . Gleaves, Morgan. 2012

机译：含有N-杂环胺基配体的硫醇盐；对超氧化物和氧反应性中间体的研究及其在新的配体设计中的应用，以模拟超氧化物还原酶的活性位点。
6. 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 [O] . Wen-Ge Han, Louis Noodleman -1

机译：量子簇尺寸和溶剂极性对核糖核苷酸还原酶中间体X的活性位点模型的几何形状和Mössbauer性质X：密度泛函理论研究
7. M{"o}ssbauer characterization of an unusual high-spin side-on peroxo-Fe3+ species in the active site of superoxide reductase from Desulfoarculus Baarsii. Density functional calculations on related models [O] . Horner, Olivier, Mouesca, Jean-Marie, Oddou, Jean-Louis, 2014

机译：m {\“} ssbauer表征了一个不寻常的高旋转侧面过氧化物还原酶活性位点中的过氧化物-Fe3 +物种 Desulfoarculus Baarsii。相关模型的密度泛函计算

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

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