One-Dimensional Organometallic Materials: An Analysis of Electronic Structure Effects
One-Dimensional Organometallic Materials: An Analysis of Electronic Structure Effects
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一维有机金属材料：电子结构效应分析
DOI：
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发表时间：
1987
期刊：
影响因子：
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通讯作者：
M. Böhm
中科院分区：
文献类型：
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作者：
M. Böhm
历史回顾-参考文献（导言）。二.实验结果和整体能带结构特性。II.1有机固体中的一维建筑原理和一般能带（电子）结构特性。II.2部分氧化有机金属一维体系的电导率。- II.3第I类有机固体的电子顺磁共振数据参考文献（第二节）。-三.理论方法晶体轨道（CO）方法。III.1（半经验）晶体轨道公式附录三.1.- III.2窄带材料中的非定域Hartree-Fock交换III.3一维（有机）聚合物中的电子相关性和弛豫III.4准一维固体中链间相互作用的简单静电模型参考文献（第三节）。四.在（半经验）晶体轨道方法框架内的模型计算。IV. 1一维紧束缚模型中的邻链相互作用。（四硫代方酸）镍（II）系统。IV.2一维多层夹心系统的能带结构特性IV.3混合价态的部分氧化的过渡金属聚合物稳定化。IV.4一维四氮卟啉合钴（II）的能带结构IV.5一维（Bisglyoximato）Ni（II）体系的能带结构。IV. 6（卟啉）Ni（II）体系的能带结构IV.7四硫并四苯的一维能带结构四. 8聚二茂铁烯的能带结构参考文献（第四节）。五.展望附录（缩略语）。
and Historical Review.- References (Introduction).- II. Experimental Results and Global Band Structure Properties.- II.1 One-Dimensional Building Principles in Organometallic Solids and General Band (Electronic) Structure Properties.- II.2 Electric Conductivities of Partially Oxidized Organometallic 1D Systems.- II.3 Electron Paramagnetic Resonance (EPR) Data of Organometallic Solids of Class I.- References (Section II).- III. Theoretical Methods Crystal Orbital (CO) Approaches.- III.1 A (Semiempirical) Crystal Orbital Formalism.- Appendix III.1.- III.2 Nonlocal Hartree-Fock Exchange in Narrow-Band Materials.- III.3 Electronic Correlations and Relaxations in One-Dimensional (Organometallic) Polymers.- III.4 A Simple Electrostatic Model for Interchain Interactions in Quasi 1D Solids.- References (Section III).- IV. Model Calculations in the Framework of a (Semiempirical) Crystal Orbital Approach.- IV.1 Neighborstrand Interactions in One-Dimensional Tight-Binding Models. The (Tetrathiosquarato)nickel(II) System.- IV.2 Band Structure Properties of One-Dimensional Polydecker Sandwich Systems.- IV.3 Partially Oxidized Transition-Metal Polymers Stabilization of Mixed Valence States.- IV.4 The Band Structure of One-Dimensional (Tetrazaporphyrinato)Cobalt(II).- IV.5 The Band Structure of the One-Dimensional (Bisglyoximato)Ni(II) System.- IV.6 Band Structures of (Porphyrinato)Ni(II) Systems.- IV.7 The 1D Band Structure of Tetrathiotetracene.- IV. 8 The Band Structure of Polyferrocenylene .- References (Section IV).- V. Outlook.- Appendix (Abbreviations).