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《International journal of quantum chemistry》2018,118(7)
Theoretical studies have been carried out on the halogen bonding interaction between para substituted chlorobenzene (Y C6H4Cl, Y = H, NH2, CH3, F, CN, NO2) and N(CH3)3 using ab initio MP2/aug‐cc‐pVDZ and DFT based wB97XD/6‐311++G(d,p) methods. The positive electrostatic potential (VS,max) on the Cl atom and the heterolytic bond breaking enthalpy of the C Cl bond have been calculated and their role on halogen bonding is discussed. The heterolytic bond breaking enthalpy of the C Cl bond is proposed as a measure of the strength of the σ‐hole on Cl atom. The binding strength of the complexes ranging between −6.13 kJ mol−1 and −9.29 kJ mol−1 are linearly related to the VS,max of the Cl atom and the bond breaking enthalpy of the C Cl bond. In addition, energy decomposition analysis was performed on the halogen bonded complexes via symmetry adapted perturbation theory (SAPT) to predict the dominant energy component and the nature of the N···Cl interaction. 相似文献
674.
光强调谐曲线是激光陀螺工作模式选取和稳频的依据,而陀螺的增损比将直接决定光强调谐曲线的形式.为了提高陀螺准确度,本文对双同位素综合展宽情况下二频激光陀螺出光带宽与增损比之间的关系进行了分析计算,结果表明,激光陀螺的出光带宽与增损比之间存在单调递增的变化关系.数值仿真了不同增损比情况下陀螺的光强调谐曲线,结果表明,根据激光陀螺出光带宽与相邻纵横间隔相对大小的不同,其光强调谐曲线的形状可分三种,仿真与试验结果非常吻合.分析并试验验证了增损比选取不当对激光陀螺工程化应用可能产生的影响,给出了不同腔长情况下激光陀螺增损比合理选取的参考值,即应保证陀螺的出光带宽约等于其相邻纵横间隔. 相似文献
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Optimisation algorithms with good anytime behaviour try to return as high-quality solutions as possible independently of the computation time allowed. Designing algorithms with good anytime behaviour is a difficult task, because performance is often evaluated subjectively, by plotting the trade-off curve between computation time and solution quality. Yet, the trade-off curve may be modelled also as a set of mutually nondominated, bi-objective points. Using this model, we propose to combine an automatic configuration tool and the hypervolume measure, which assigns a single quality measure to a nondominated set. This allows us to improve the anytime behaviour of optimisation algorithms by means of automatically finding algorithmic configurations that produce the best nondominated sets. Moreover, the recently proposed weighted hypervolume measure is used here to incorporate the decision-maker’s preferences into the automatic tuning procedure. We report on the improvements reached when applying the proposed method to two relevant scenarios: (i) the design of parameter variation strategies for MAX-MIN Ant System and (ii) the tuning of the anytime behaviour of SCIP, an open-source mixed integer programming solver with more than 200 parameters. 相似文献
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In this letter, we propose a new architecture of Time Wavelength Division Multiplexing Passive Optical Network (TWDM PON) system to support dynamic multi wavelength allocation (DMWA) in both upstream and downstream directions using an integrated semiconductor optical amplifier (SOA) and arrayed waveguide grating (AWG) with multi wavelength select continuous wave (CW) pump probe signal module. The significance of this architecture is the flexible routing function with the capability of multicasting and broadcasting between multiple optical line terminal (OLT) PON port with multiple optical distribution network (ODN) link using a new wavelength tuning free (WTF) OLT transmitter module to eliminate wavelength tuning delay in downstream signal utilizing multicasting Cross Gain Modulation (XGM) wavelength conversion. The experimental results show that 4λ × 10-Gb/s TWDM PON system can be used to connect 4096 users with the conventional fixed wavelength OLT transceivers with 36 dB link loss. 相似文献
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基于狭义相对论的洛伦兹变换和同时的相对性,本文给出了一个推导长度收缩和纵向相对论多普勒效应的新方法。该方法可更直观理解在两个惯性系中观测一个纵向光波的波长与观测沿纵向静止于某个系中杆的长度的本质区别。 相似文献
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