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Prof. Dr. Mingoo Jin Satsuki Matsuura Hikaru Yamamoto Prof. Dr. Motohiro Mizuno Prof. Dr. Hajime Ito 《European journal of organic chemistry》2023,26(12):e202201468
We report multidynamic molecular rotations in crystals using a concave-shape N-heterocyclic carbene (NHC) binuclear Au(I) complex rotor bearing pyrazine and tetrahydrofuran (THF) molecules as multicomponent rotators. Single-crystal X-ray diffraction (XRD) measurements revealed that two THF molecules are located near the central pyrazine encapsulated by two bulky NHC ligands. From 2H solid-state NMR analysis, it was observed that the pyrazine rotated in a 2-fold site exchange with a 180° rotational angle and a 31 kJ mol−1 energy barrier, while the THF molecules showed a 23°-38° libration with a lower energy barrier (14 kJ mol−1). Interestingly, the pyrazine rotation was accelerated when the THF molecules rotated in fast site exchange with a large angle of libration, suggesting that the rotators exhibit multidynamics in a correlated manner. 相似文献
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High‐temperature superconductivity and long‐range order in strongly correlated electronic systems 下载免费PDF全文
Lawrence J. Dunne 《International journal of quantum chemistry》2015,115(20):1443-1458
A selective review of the question of how repulsive electron correlations might give rise to off‐diagonal long‐range order (ODLRO) in high‐temperature superconductors is presented. The article makes detailed explanations of the relevance to superconductivity of reduced electronic density matrices and how these can be used to understand whether ODLRO might arise from Coulombic repulsions in strongly correlated electronic systems. Time‐reversed electron pairs on alternant Cuprate and the iron‐based pnictide and chalcogenide lattices may have a weak long‐range attractive tail and much stronger short‐range repulsive Coulomb interaction. The long‐range attractive tail may find its origin in one of the many suggested proposals for high‐Tc superconductivity and thus has an uncertain origin. A phenomenological Hamiltonian is invoked whose model parameters are obtained by fitting to experimental data. A detailed summary is given of the arguments that such interacting electrons can cooperate to produce a superconducting state in which time‐reversed pairs of electrons effectively avoid the repulsive hard‐core of the Coulomb interaction but reside on average in the attractive well of the long‐range potential. Thus, the pairing of electrons itself provides an enhanced screening mechanism. The alternant lattice structure is the key to achieving robust high‐temperature superconductivity with dx2‐y2 or sign alternating s‐wave or s± condensate symmetries in cuprates and iron‐based compounds. Some attention is also given to the question first raised by Leggett as to where the Coulombic energy is saved in the superconducting transition in cuprates. A mean‐field‐type model in which the condensate density serves as an order parameter is discussed. Many of the observed trends in the thermal properties of cuprate superconductors are reproduced giving strong support for the proposed model for high‐temperature superconductivity in such strongly correlated electronic systems. © 2015 Wiley Periodicals, Inc. 相似文献
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We study a spin structure that arises in a one‐dimensional quantum dot with zero total spin under the action of a charged tip of a scanning probe microscope in the presence of a weak magnetic field. The evolution of spin structure with changing the probe position is traced to show that the movable probe can be an effective tool to manipulate the spin. The spin structures are formed when the probe is located in certain regions along the dot due to Coulomb interaction of electrons as they are redistributed between the two sections in which the quantum dot is divided by the potential barrier created by the probe. There are two main states: spin‐polarized and non‐polarized ones. The transition between them is accompanied by a spin precession governed by the Rashba spin–orbit interaction induced by the electric field of the probe. In the transition region the spin density changes strongly while charge distribution remains nearly unchanged. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim) 相似文献
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The generalized Poisson distribution is well known to be a compound Poisson distribution with Borel summands. As a generalization we present closed formulas for compound Bartlett and Delaporte distributions with Borel summands and a recursive structure for certain compound shifted Delaporte mixtures with Borel summands. Our models are introduced in an actuarial context as claim number distributions and are derived only with probabilistic arguments and elementary combinatorial identities. In the actuarial context related compound distributions are of importance as models for the total size of insurance claims for which we present simple recursion formulas of Panjer type. 相似文献
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The aggregate claim amount in a particular time period is a quantity of fundamental importance for proper management of an insurance company and also for pricing of insurance coverages. In this paper, we show that the proportional hazard rates (PHR) model, which includes some well-known distributions such as exponential, Weibull and Pareto distributions, can be used as the aggregate claim amount distribution. We also present some conditions for the use of exponentiated Weibull distribution as the claim amount distribution. The results established here complete and extend the well-known result of Khaledi and Ahmadi (2008). 相似文献
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以电耦合的Terman-Wang小世界神经元网络系统为研究对象, 研究了空间关联白噪声影响下神经元网络系统的同步动力学. 首先将动力学平均场近似理论扩展到受空间关联白噪声影响下的小世界网络系统中, 将描述网络系统动力学演化的2N维随机微分方程简化为11个确定性的矩微分方程. 其次, 基于动力学平均场近似理论所推导的矩方程, 讨论了空间关联噪声、网络结构参数对神经元网络系统同步动力学的关键影响, 发现较大的噪声空间关联系数、耦合强度及节点平均度均对神经元网络系统同步放电具有积极作用. 进一步地, 利用计算机仿真数值模拟原神经元网络系统的同步动力学, 并与基于动力学平均场近似理论所得到的结果进行比较, 发现二者具有较好的一致性. 相似文献
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在具有网络结构的系统中度关联属性对于动力学行为具有重要的影响, 所以产生适当度关联网络的方法对于大量网络系统的研究具有重要的作用. 尽管产生正匹配网络的方法已经得到很好的验证, 但是产生反匹配网络的方法还没有被系统的讨论过. 重新连接网络中的边是产生度关联网络的一个常用方法. 这里我们研究使用重连方法产生反匹配无标度网络的有效性. 我们的研究表明, 有倾向的重连可以增强网络的反匹配属性. 但是有倾向重连不能使皮尔森度相关系数下降到-1, 而是存在一个依赖于网络参数的最小值. 我们研究了网络的主要参数对于网络度相关系数的影响, 包括网络尺寸, 网络的连接密度和网络节点的度差异程度. 研究表明在网络尺寸大的情况下和节点度差异性强的情况下, 重连的效果较差. 我们研究了真实Internet网络, 发现模型产生的网络经过重连不能达到真实网络的度关联系数. 相似文献
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We report the results of our investigation of magnetization and heat capacity on a series of compounds CeYxNiGe2 () under the influence of external magnetic field. Our studies of the thermodynamic quantity on these compounds indicate that magnetic frustration persists in Ce0.9Y0.1NiGe2, as also reported for the parent compound CeNiGe2. The weak signature of this frustration is also noted in Ce0.8Y0.2NiGe2, whereas, it is suppressed in Ce0.6Y0.4NiGe2. Heat capacity studies on Ce0.9Y0.1NiGe2 and Ce0.8Y0.2NiGe2 indicate the presence of a new magnetic anomaly at high field which indicates that quantum criticality is absent in these compounds. However, for Ce0.6Y0.4NiGe2 such an anomaly is not noted. For this later compound, the magnetic field (H) and temperature (T) dependence of heat capacity and magnetization obey scaling above critical fields. However, the obtained scaling critical parameter (δ) is 1.6, which is away from mean field value of 3. This deviation suggests the presence of unusual fluctuations and anomalous quantum criticality in these compounds. This unusual fluctuation may arise from disorderness induced by Y-substitution. 相似文献