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S K-Edge X-Ray Absorption Spectroscopy and Density Functional Theory Studies of High and Low Spin {FeNO}7Thiolate Complexes: Exchange Stabilization of Electron Delocalization in {FeNO}7and {FeO2}8

机译：S K-Edge X射线吸收光谱和密度函数理论研究高和低旋转{FENO} 7硫代酸盐络合物：{FENO} 7和{FEO2} 8中的电子临床化交换稳定化

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Ning Sun; Lei V. Liu; Abhishek Dey; Gloria Villar-Acevedo; Julie A. Kovacs; Marcetta Y. Darensbourg; Keith O. Hodgson; Britt Hedman; Edward I. Solomon;
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1. S K-edge X-Ray absorption spectroscopy and density functional theory studies of high and low spin {FeNO}~7 thiolate complexes: Exchange stabilization of electron delocalization in {FeNO}~7 and {FeO _2}_8 [J] . Sun N., Liu L.V., Dey A., Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2011,第2期

机译：高和低自旋{FeNO}〜7硫醇盐配合物的S K边缘X射线吸收光谱和密度泛函理论研究：{FeNO}〜7和{FeO _2} _8中电子离域的交换稳定性
2. Electronic control of the "Bailar Twist" in formally d(0)-d(2) molybdenum tris(dithiolene) complexes: A sulfur K-edge X-ray absorption spectroscopy and density functional theory study [J] . Tenderholt AL, Szilagyi RK, Holm RH, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2008,第14期

机译：电子控制形式为正式的d（0）-d（2）三（二硫代己烯）钼配合物中的“ Bailar Twist”：硫K边缘X射线吸收光谱法和密度泛函理论研究
3. Simulating Cl K-edge X-ray absorption spectroscopy in MCl6~(2-) (M = U, Np, Pu) complexes and UOCl5~- using time-dependent density functional theory [J] . Niranjan Govind, Wibe A. de Jong Theoretical chemistry accounts . 2014,第4期

机译：使用时变密度泛函理论模拟MCl6〜（2-）（M = U，Np，Pu）配合物和UOCl5〜-中的Cl K-edge X射线吸收光谱
4. Evaluation of Orbital Mixing in Soft-Donor Dithiophosphinate Extractants using Sulfur K-edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory [C] . Stosh A. Kozimor, Angela C. Olson, Scott R. Daly, Plutonium futures: the science 2014 . 2014

机译：硫K边缘X射线吸收光谱法和时变密度泛函理论评估软捐助者二硫代次膦酸酯萃取剂的轨道混合
5. Development and Applications of Orthogonality Constrained Density Functional Theory for the Accurate Simulation of X-Ray Absorption Spectroscopy [D] . Derricotte, Wallace D. 2017

机译：正交性受约束密度函数理论的X射线吸收光谱精确模拟的开发和应用
6. S K-edge XAS and DFT Studies of High and Low Spin {FeNO}7 Thiolate Complexes: Exchange Stabilization of Electron Delocalization in {FeNO}7 and {FeO2}8 [O] . Ning Sun, Lei V. Liu, Abhishek Dey, -1

机译：】s K-边缘Xas和高的DFT研究和低自旋{FeNO水平} 7种硫醇盐配合物：和在{} FeNO水平7电子离域的交换稳定{FeO2} 8
7. Comparison between the Geometric and Electronic Structures\ud and Reactivities of {FeNO}7 and {FeO2}8 Complexes:\ud A Density Functional Theory Study [O] . Schenk, Gerhard, Pau, Monita Y. M., Solomon, Edward I. 2004

机译：几何结构与电子结构比较\ ud 和{FeNO} 7和{FeO2} 8配合物的反应性和反应性：\ ud 密度泛函理论研究

S K-Edge X-Ray Absorption Spectroscopy and Density Functional Theory Studies of High and Low Spin {FeNO}7Thiolate Complexes: Exchange Stabilization of Electron Delocalization in {FeNO}7and {FeO2}8

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