一种电荷转移晶体的磁和介电弛豫性质

在外加电场下,利用分子的旋转和取向运动是组装分子介电马达以及弛豫型分子介电体的一个主要策略。在本论文中,我们制备并表征了一个新的电荷转移晶体[C₁₀-DMPy][Ni(mnt)₂](1)(C₁₀-DMPy⁺=1-decanel-N, N-dimethylpyridinium, mnt^2-=马来二氰基二硫烯)。在一定的频率范围内,该化合物展现了介电弛豫行为,我们将此归于平衡阳离子的动力学位置取向和阴、阳离子间的电荷转移。该化合物的介电弛豫过程遵循Cole-Cole方程,偏离理想的Debye模型。单晶X-射线衍射表明该化合物的阴、阳离子分别独立堆积成柱状,柔性的有机阳离子与刚性的磁性阴离子构筑块间存在电荷协助氢键作用。此外,该化合物的磁行为展现为弱的铁磁耦合作用。     

HNO自由基与O2反应机理的理论研究

采用密度泛函理论(DFT)和从头算方法,在B3LYP/6-311++G(d,p)水平上对反应HNO+O_2做了理论计算研究。优化得到了反应物、中间体、过渡态和产物的几何构型以及相应的能量值、振动频率。通过分析反应路径的能量差异,以及异构化难易程度,发现HNO+O_2反应有2种产物通道:HOONO和HNO_3。其中过氧亚硝酸HOONO是主要产物,有3种稳定的构象。     

Weight hierarchies of a family of linear codes associated with degenerate quadratic forms

Weight hierarchies of linear codes have been an interesting topic due to their important values in theory and applications in cryptography. In this paper, we restrict a degenerate quadratic form f over a finite field of odd characteristic to subspaces and introduce a quotient space related to the degenerate quadratic form f. From the polynomial f over the quotient space, a non-degenerate quadratic form is induced. Some related results on the subspaces and quotient spaces are obtained. Based on these results, the weight hierarchies of a family of linear codes related to f are determined.     

A Cuboidal Tetranuclear Nickel Cluster Based on <Emphasis Type="Italic">O</Emphasis>,<Emphasis Type="Italic">O</Emphasis>,<Emphasis Type="Italic">N</Emphasis>-Tridentate Schiff Base: Synthesis,Structure and Magnetic Properties

One tetranuclear nickel cluster [Ni₄L₄(CH₃CH₂OH)₄] (1, H₂L = N-(2-hydroxyphenyl)salicylaldimino) was synthesized by solvothermally reaction and characterized by elemental analysis, IR, TGA and X-ray single-crystal diffraction. It exhibits a cubane-type [Ni₄O₄] structure with four Schiff base ligands and four alcohol molecules in the unit. Magnetic susceptibility studies indicate that there are ferromagnetic interactions within the tetranuclear nickel(II) cluster. Furthermore, Thermogravimetric analyses display the stability of complex 1.     

Components Analysis of Biochar Based on Near Infrared Spectroscopy Technology

This study aims to establish a rapid quantitative analysis method for biochar based on near infrared spectroscopy (NIRS) technology. Near infrared spectra of 163 samples in the 10000–3800 cm^–1 (1000–2632 nm) range were collected, and the contents of fixed carbon (FC), volatile matter (VM) and ash of samples were also analyzed. A partial least square (PLS) model for FC, VM and Ash was established after the model spectral ranges were optimized, the optimal factors were determined, and the raw spectra were pretreated by multiple scatter correction and second derivative (MSC + SD) method. Finally, the prediction performance of predictive model was evaluated. The results showed that the PLS model had a good prediction ability, and the predicted coefficient R²_p of actual values vs prediction values for FC, VM and ash were 0.9423, 0.9517 and 0.9265, respectively. Root mean square error of prediction (RMSEP) was 0.1074, 0.1201 and 0.1243, and ratios of prediction to deviation (RPD) were 3.51, 4.28 and 2.03, respectively. The PLS model had good accuracy and precision for both of FC and VM, and could be used as a quantitative method for FC and VM contents analysis. Nevertheless, PLS model need to improve the precision for Ash analysis according to RPD value. This method provides a fast and effective technical means for the quantitative analysis of biochar components.     

Existence of infinitely many large solutions for the nonlinear Schrödinger-Maxwell equations

In this paper, we study the nonlinear stationary Schrödinger-Maxwell equations

(∗)     

游程数的分布和矩的计算

本文较为系统地介绍了游程数的定义、分布及其矩的计算     

Bayesian Estimation of Large Precision Matrix Based on Cholesky Decomposition

In this paper, we consider the estimation of a high dimensional precision matrix of Gaussian graphical model. Based on the re-parameterized likelihood, we obtain the full conditional distribution of all parameters in Cholesky factor. Furthermore, by imposing the prior information, we obtain the shrinkage Bayesian estimator of large precision matrix, and establish the asymptotic distribution of all parameters in the Cholesky factor. At last, we demonstrate our method through the simulation study and an application to telephone call center data.     

连通图的度序列及连通平面图的低度点个数

美国数学家Bondy给出了一个非负整数序列为简单图的度序列的充要条件.本文对此进行了发展,证明了一个正整数序列为连通简单图的度序列的充要条件;然后在此基础上又探讨了平面图的低度点个数问题并定义了描述连通平面图的低度点个数的一个概念φ(n,m),并对某些低阶平面图求出了φ(n,m)的值.最后给出了φ(n,m)的上下界.     

Immobilized nickel(Ⅱ) on organic-inorganic hybrid materials: The effective and reusable catalysts for Biginelli reaction

The immobilized nickel(II) on the organic-inorganic hybrid material was prepared and used as an effective catalyst for the Biginelli reaction.In the presence of the immobilized nickel catalyst,aromatic aldehydes reacted with ethyl acetoacetate and urea (or thiourea) smoothly to generate the corresponding Biginelli products in good to excellent yields without using any additive.The work-up procedure is very simple and practical.Furthermore,the silica-supported nickel(II) could be recovered and recycled for s...