On the validity of the counterpoise correction for the basis set superposition error including the fragment relaxation terms

It is demonstrated that relatively large geometrical changes make Emsley et al.'s assumption (J Am Chem Soc (1978) 100:3303) on the counterpoise correction for the basis set superposition error including the fragment relaxation terms unacceptable. Received: 23 September 1997 / Accepted: 31 October 1997     

Error of Atomic Charges Derived from Electrostatic Potential

The purpose of this article is to show that CHELP, CHELPG, and Merz and Kollman undergo error for the charge on atoms of HCOO^– (H₂O) _n for n = 1 6. We also demonstrate that the CHELP, CHELPG, and Merz and Kollman show error for the tendency toward change in the charges on carbons for CH₃NH⁺ ₃ (CH₃)₂NH⁺ ₂ (CH₃)₃NH⁺ (CH₃)₄N⁺.     

Efficient synthesis of magnetic nanoparticle-Musa acuminata peel composite for the adsorption of anionic dye

The impregnation of magnetite (Mt) nanoparticle (NPs) onto Musa acuminata peel (MApe), to form a novel magnetic combo (MApe-Mt) for the adsorption of anionic bromophenol blue (BPB) was studied. The SEM, EDX, BET, XRD, FTIR and TGA were used to characterize the adsorbents. The FTIR showed that the OH and CO groups were the major sites for BPB uptake onto the adsorbent materials. The average Mt crystalline size on MApe-Mt was 21.13 nm. SEM analysis revealed that Mt NPs were agglomerated on the surface of the MApe biosorbent, with an average Mt diameter of 25.97 nm. After Mt impregnation, a decrease in BET surface area (14.89 to 3.80 m²/g) and an increase in pore diameter (2.25–3.11 nm), pore volume (0.0052–0.01418 cm³/g) and pH point of zero charge (6.4–7.2) was obtained. The presence of Pb(II) ions in solution significantly decreased the uptake of BPB onto both MApe (66.1–43.8%) and MApe-Mt (80.3–59.1%), compared to other competing ions (Zn(II), Cd(II), Ni(II)) in the solution. Isotherm modeling showed that the Freundlich model best fitted the adsorption data (R² > 0.994 and SSE < 0.0013). In addition, maximum monolayer uptake was enhanced from 6.04 to 8.12 mg/g after Mt impregnation. Kinetics were well described by the pseudo-first order and liquid film diffusion models. Thermodynamics revealed a physical, endothermic adsorption of BPB onto the adsorbents, with ΔH^o values of 15.87–16.49 kJ/mol, corroborated by high desorption (over 90%) of BPB from the loaded materials. The viability of the prepared adsorbents was also revealed in its reusability for BPB uptake.     

双极场逆Radon变换的数值模拟

对双极场（DPF）的逆Radon变换进行了数值模拟。采用加法代数重建迭代算法（ART）对含有正负值的DPF进行重建，迭代了500次。结果发现，迭代一直收敛，重建场与原场相似，包括峰的位置、方向和形状，但各个峰的高度都较原场相应的峰矮，重建区域的边界出现了明显的波动现象。与相应单极场（SPF）的重建误差作比较，结果发现，DPF的3种模拟误差都大于SPF相应的误差，其中均方误差（MSE）大10^-4数量级，绝对平均误差（AVE）、峰值相对误差（PE）分别大10^-3、10^-2数量级，说明同样条件下DPF的重建精度比SPF的小。     

音频媒体矩阵处理器实时备份系统探讨

主要论述了在相关音频系统中,利用音频媒体矩阵处理器进行实时备份时有关的编程方式和技巧,同时表述了作者对如何利用该实时备份系统提高系统安全性的一些观点和建议。     

联合均衡和多重深度TCM译码技术研究

针对ATSC DTV系统,提出一种多重深度TCM译码作为软判决的联合均衡及译码方案,从而降低误差传播,提高了均衡器的性能.新方案仅增加了译码输出单元,复杂度较深度为1时增加并不大.当采用译码深度为1的TCM译码输出作为反馈,比硬判决反馈时的均衡器收敛门限降低了6 dB.当最大的译码深度增加到6时,均衡器收敛的门限进一步降低了3 dB,从而比硬判决时均衡器的收敛门限降低9 dB.     

分层空时码检测算法的研究

分层空时码技术是提高无线信道传输速率的一种十分有效的方法.迫零检测算法和最小均方误差检测算法是分层空时码体制中经常使用的两种检测算法,它们都使用了通常的线性合并置零技术,因此要求接收天线数不小于发射天线数,即要求在接收机上安装较多的天线,从而限制了分层空时码在移动环境下的应用.本文引入分层空时码的最大似然检测算法,突破了前两种算法对接收天线数的限制,并分别针对单路径和多径衰落信道环境,对分层空时码的三种检测算法的性能进行了仿真比较和分析,从而提出了它们各自适合的应用环境.     

本征值有限元近似的一个抽象误差估计式

设T：LZ（fi）MLZ（fi）是自共轭全连续算子，SgCLZ（fi）是分片。次有限元空间，几：LZ、St是有限秩自共轭算子，IITh-Tllo、0（h、0）．考虑本征值问题：及其近似用（·，·）和DD·D【。·分别表示h（m中内积和范数·ID·卜F表示w认｝（m中范数，简记D卜队。为D卜卜·因为T自共轭全连续，所以它有可数无穷个本征值h，人，...人，...．其相应的本征函数（2丹构成完全标准直交系，所以VZELZ（m设几的本征值为A。l，汕。，...，汕n，相应的本征函数为如山，卜则。二1·不失一般性，可EitL。设tik一大干二＞，E是到Ah对应的本…     

关于CBP算法的一种新型滤波函数和它的性质

用卷积反投影(CBP)算法作CT重建,滤波函数是关键.本文建议一种新型滤波函数,给出了用它作CT重建的误差估计,分析了该滤波函数的时频特性,并用来作局部重建.模拟和实测数据的数字实验表明其在保证空间分辨率的同时能较好地克服Gibbs效应.     

Analysis and modeling of radiometric error caused by imaging blur in optical remote sensing systems

Imaging blur changes the digital output values of imaging systems. It leads to radiometric errors when the system is used for measurement. In this paper, we focus on the radiometric error due to imaging blur in remote sensing imaging systems. First, in accordance with the radiometric response calibration of imaging systems, we provide a theoretical analysis on the evaluation standard of radiometric errors caused by imaging blur. Then, we build a radiometric error model for imaging blur based on the natural stochastic fractal characteristics of remote sensing images. Finally, we verify the model by simulations and physical defocus experiments. The simulation results show that the modeling estimation result approaches to the simulation computation. The maximum difference of relative MSE (Mean Squared Error) between simulation computation and modeling estimation can achieve 1.6%. The physical experimental results show that the maximum difference of relative MSE between experimental results and modeling estimation is only 1.29% under experimental conditions. Simulations and experiments demonstrate that the proposed model is correct, which can be used to estimate the radiometric error caused by imaging blur in remote sensing images. This research is of great importance for radiometric measurement system evaluation and application.