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Sulfur K-Edge XAS and DFT Calculations on Fe4S42+Clusters: Effects of H-bonding and Structural Distortion on Covalency and Spin Topology

机译：Fe4S4 2 +簇的硫磺K-Edge XAS和DFT计算：H键合和结构扭曲对共价和旋转拓扑的影响

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Abhishek Dey; Cara L. Roche; Marc A. Walters; Keith O. Hodgson; Britt Hedman; Edward I. Solomon;
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1. Sulfur K-Edge XAS and DFT Calculations on [Fe_4S_4]~(2+) Clusters:Effects of H-bonding and Structural Distortion on Covalency and Spin Topology [J] . Abhishek Dey, Cara L.Roche, Marc A.Walters, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2005,第23期

机译：[Fe_4S_4]〜（2+）团簇的硫K边缘XAS和DFT计算：H键和结构畸变对共价性和自旋拓扑的影响
2. S K-Edge XAS and DFT Calculations on Square-Planar Ni~(II)-Thiolate Complexes: Effects of Active and Passive H-Bonding [J] . Abhishek Dey, Kayla N. Green, Roxanne M. Jenkins Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2007,第23期

机译：正方形平面Ni〜（II）-硫醇盐配合物的S K边缘XAS和DFT计算：主动和被动H键合的影响
3. Sulfur K-edge XAS and DFT calculations on P450 model complexes: Effects of hydrogen bonding on electronic structure and redox potentials [J] . Dey A, Okamura T, Ueyama N, Journal of the American Chemical Society . 2005,第34期

机译：P450模型配合物的硫K边XAS和DFT计算：氢键对电子结构和氧化还原电势的影响
4. Effects of structural defects on the activation of sulfur donors in GaN_xAs_(1-x) formed by N implantation [C] . J. Jasinski, K.M. Yu, W. Walukiewicz, 21st International Conference on Defects in Semiconductors (ICDS-21) Jul 16-20, 2001 Giessen, Germany . 2001

机译：结构缺陷对氮注入形成的GaN_xAs_（1-x）中硫供体活化的影响
5. Relativistic DFT calculations of magnetic shielding tensors for spin ? heavy nuclei [D] . Alkan, Fahri. 2016

机译：用于旋转的磁屏蔽张量的相对论DFT计算？重核
6. S K-edge XAS and DFT Calculations on Square Planar NiII-thiolate Complexes: Effects of Active and Passive H-bonding [O] . Abhishek Dey, Kayla N. Green, Roxanne M. Jenkins, -1

机译：方形平面NiII-硫醇盐配合物的S K边缘XAS和DFT计算：主动和被动H键的影响
7. S K-Edge XAS and DFT Calculations on Square-Planar NiII-Thiolate Complexes: Effects of Active and Passive H-Bonding [O] . -1

机译：S k-Edge XAs和Square-Planar NiII-硫醇酸盐复合物的DFT计算：活性和被动H键合的影响

Sulfur K-Edge XAS and DFT Calculations on Fe4S42+Clusters: Effects of H-bonding and Structural Distortion on Covalency and Spin Topology

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