直接键连C-X(X=H, C)的核自旋偶合常数的理论研究

利用建立的PM3级别上的最大重迭对称性分子轨道法和自然杂化轨道方法,计算了系列烃类化合物的杂化轨道和电荷分布,拟合出计算C-H及C-C偶合常数的简单关系式,研究了各种烃类分子中不同的C-Ｈ键和Ｃ-Ｃ键偶合常数,理论计算值和实验数据都较为吻合．进一步验证了直接键连1JCX(X=C, H)偶合常数主要取决于偶合作用中的Fermi接触相,为从简单价键理论角度解释和计算1JCH和1JCC提供了一种简便直观的方法．计算结果也表明提出的计算方法是可行的．     

一种力位置控制冲击问题解决方法

针对数控系统力位置控制过程中的力冲击问题,基于阻抗控制基本原理,研究了一种解决该问题的控制策略.以X-Y-Z三轴运动平台为被控对象,建立了系统数学模型以及力传感器动态数学模型.以控制Z轴与工件的恒定接触力为目标,构建了切换控制系统,并证明了闭环系统的稳定性.在Simulink中搭建了力位置双闭环阻抗控制仿真系统,结果证...     

水溶性SalenMn(Ⅱ)的合成及其对氨基酸的分子识别研究

本文合成并表征了手性席夫碱配体(Salen H2)及其水溶性的锰配合物[Salen Mn(Ⅱ)].用紫外-可见光谱滴定技术测定了主体Salen Mn(Ⅱ)与客体氨基酸(苯丙氨酸和苏氨酸)对映异构体分子间进行识别作用的缔合常数.结果表明:SalenMn(Ⅱ)与系列客体氨基酸作用的配位比均为1∶2,主客体反应均为放热、熵减...     

具分段常数微分方程零解的全局吸引性

考虑具分段常数微分方程x′(t)=r(t)f(x([t])),t 0,其中r(t)非负连续,f有下界且具有负Schwarz导数,f∈C3(R,R),xf(x)<0当x≠0,f′(0)<0,[.]表示最大整数函数,证明了当-f′(0)n∫+1nr(s)ds≤2且∞∫0r(s)ds=∞时,方程的零解是全局吸引的.     

取代苯甲酸生物降解速率常数的拓扑计算

利用拓扑指数和量化计算得到的参数共同与取代苯甲酸的生物降解速率常数回归,建立的二元数学模型具有很好的相关性.并且,该模型表现了很好的稳键性和可重复性.     

Dielectric Properties of Colossal-Dielectric-Constant Na1/2La1/2Cu3Ti4O12 Ceramics Prepared by Spark Plasma Sintering

In the current study, we report on the dielectric behavior of colossal-dielectric-constant Na_1/2La_1/2Cu₃Ti₄O₁₂ (NLCTO) ceramics prepared by mechanochemical synthesis and spark plasma sintering (SPS) at 850 °C, 900 °C, and 925 °C for 10 min. X-ray powder diffraction analysis showed that all the ceramics have a cubic phase. Scanning electron microscope observations revealed an increase in the average grain size from 175 to 300 nm with an increase in the sintering temperature. SPS NLCTO ceramics showed a room-temperature colossal dielectric constant (>10³) and a comparatively high dielectric loss (>0.1) over most of the studied frequency range (1 Hz–40 MHz). Two relaxation peaks were observed in the spectra of the electrical modulus and attributed to the response of grain and grain boundary. According to the Nyquist plots of complex impedance, the SPS NLCTO ceramics have semiconductor grains surrounded by electrically resistive grain boundaries. The colossal dielectric constant of SPS NLCTO ceramics was attributed to the internal barrier layer capacitance (IBLC) effect. The high dielectric loss is thought to be due to the low resistivity of the grain boundary of SPS NLCTO.     

一类非齐次核的最佳Hilbert型积分不等式的搭配参数条件

首先利用权函数方法,考虑如何确定搭配参数,使具有非齐次核G(xλ1 yλ2)(λ1λ2>0)的Hilbert型积分不等式具有最佳常数因子;其次给出最佳搭配参数的充分必要条件及快速判定最佳常数因子的判别式;最后讨论最佳搭配参数在积分算子理论中的应用.     

Electrical properties of interdigitated partially bent like shaped liquid crystalline compound

This article represents the electrical studies of an interdigitated highly skewed N(4-n-pentyloxybenzylidene) 4-n-alkylaniline (5O.16) compound. Interestingly the compound is partially bent like and unsymmetrical in alkyl chain length. Dielectric and impedance spectroscopy studies indicate the coupling between the liquid crystal and the electrical field. Studies were carried out as a function of temperature as well as frequency. Semicircular nature of the Cole–Cole plots indicates the reorientation of the molecule with the applied field. Using the experimental data and the theoretically fitted results the effective equivalent model circuit was designed. Which used to explain the behavior of the compound under the external electric effect and the influence of the electrodes with different variable represent the resistor circuit. However, the effect of the conductivity of temperature and frequency are also reported.     

关于《区间上三段单调扩张自映射的周期轨道》的注记

设m≥0是任一整数.对每一正奇数n≥3,设λn,sn,rn分别是方程xn-2xn-2-1=0,xn-2xn-1-1=0和xn 2-3xn-x2-1=0的唯一正根.记tn0=rn,tni=sn,i≥1,iN,λ=nl→i∞mλn,s=nli→∞msn,t=nli→∞mtn.设λ为f C0(I,I)的扩张常数.利用实分析学中的极限理论,得到了:(1)若f F2(I)∪G2(I),且λ>λ1/2m,则存在最小的奇数n0≥3,使得f有2m.n0-周期点.(2)若f F3(I),且λ>s1/2m,则存在最小的奇数n0≥3,使得f有2m.n0-周期点.(3)若f G3(I),且λ>t1/2m,则存在最小的奇数k0≥3,使得f有2m.k0-周期点.     

Thermodynamics of the dissociation of Bis H+ in seawater from 5 to 40°C

Electromotive-force measurements of cells without transference were used to determine the dissociation constant of the protonated form of the weak base 2-amino-2-methyl-1, 3-propanediol (Bis) in synthetic seawaters corresponding to salinities of 20, 35, and 45. Hydrogen electrodes and silver-silver chloride electrodes were used, together with standard potentials determined in an earlier investigation. The pK increases in linear fashion with the salinity (S) of the medium, for values of S from 0 to 45. The solvent effect is given by 8.802+0.00378S at 25°C with a mean deviation of 0.001. The medium effect of seawater on H° at 25°C is less than 200 cal-mol^–1 and less than 0.2 cal-^oK-mol^–1 on S°.