Ca+RBr→CaBr+R(R=CH3,C2H5,n-C3H7)反应的矢量相关和产物的转动取向

采用准经典轨线方法研究了碰撞反应 Ca RBr(R=CH_3,C_2H_5 和 n-C_3H_7)的矢量相关性质和产物 CaBr 分子的转动取向.计算了不同碰量相关撞能情况下产物分子的转动取向参数和反应物与产物之间的矢分布几率函数.矢量相关由角分布函数 P(θ_r)!P(φ_r)和 P(θ_r,φ_r)以及极化相关微分截面来描述.Ca CH_3Br 反应产物 CaBr 的 P(θ_r)峰值大于 Ca C_2H_5Br 和 Ca n-C_3H_7Br 反应产物 CaBr 的 P(θ_r)峰值.对于反应 Ca RBr 的 P(θ_r)在φ_=3π/2处的峰值明显大于φ_r=π/2处的峰值.计算结果表明,在碰撞反应过程中,产物 CaBr 分子的转动角动量不仅发生取向,而且沿着垂直于散射面方向发生定向：产物 CaBr 分子强烈地沿着反应物相对速度方向向前散射；产物分子转动角动量的定向和取向将不同程度地影响产物的散射方向.     

Ca+RBr→CaBr+R(R=CH3,C2H5,n-C3H7)反应的矢量相关和产物的转动取向

The quasiclassical trajectory method is used to study the vector correlations of the reactions Ca+RBr (R=CH3, C2H5 and n-C3H7Br) and the rotational alignment of product CaBr. The product rotational alignment parameters at di?erent collision energies and the vector correlations between the reagent and product are numerically calculated. The vector correlations are described by using the angle distribution functions P(θr),P(φr), P(θr, φr) and the polarization-dependent differential cross sections (PDDCSs). The peak values of P(θr) of the product CaBr from Ca+CH3Br are larger than those from Ca+C2H5Br and Ca+n-C3H7Br. The peak of P(θr) atφr = 3π/2 is apparently stronger than that at φr= π/2 for the three reactions Ca+RBr. The calculation results show that the rotational angular momentum of the product CaBr is not only aligned, but also oriented along the direction which is perpendicular to the scattering plane.The product CaBr molecules are strongly scattered forward. The orientation and alignment of the product angular momentum will affect the scattering direction of the product molecules to varying degrees.     

一类差分方程的全局吸引性

考虑非自治差分方程xn 1=xnexp(rn 1-xn/1 λxn),n∈N的全局吸引性．这里{rn}是非负实数列，λ≥0，我们获得了方程每一解在初始条件下趋于1的充分条件．     

统一状态方程描述同位素气体

通过对分子动力学模拟公式和同位素相互作用势特点的分析,提出用一个统一的状态方程描述同位素气体的P-V-T特性.进而选用Benedict-Webb-Rubin方程作为统一的状态方程,利用H2气体的135组实验值确定其八个参数.这个方程的计算结果与H2和D2气体的实验值符合良好.T2气体目前尚未见到成套的P-V-T实验数据报道,不能直接与实验结果对比,但与T2气体的分子动力学模拟计算结果一致.     

(Phen)2.5HPW/WO3复合空心微球的制备及光催化性能

通过磷钨酸H3PW12O40(HPW)和邻菲啰啉C12H8N2(Phen)的溶液反应,合成了杂多化合物(C12H8N2)2.5H3PW12O40((Phen)2.5HPW),以WO3空心微球为载体,负载杂多化合物(Phen)2.5HPW,制备了(Phen)2.5HPW/WO3复合空心微球.用等离子体原子发射光谱(ICP...     

初中化学情感态度与价值观评价初探

通过审视情感态度与价值观及评价的相关理论,介绍可操作化的评价技术与案例。从初中化学的视角结合教育心理学理论界定了情感态度与价值观的内涵,通过分析调查问卷、纸笔测验、活动表现及档案袋等评价方式探索了如何进行情感态度与价值观评价,并提出了相关改善建议,为命题者及一线教师提供借鉴和参考。     

FULLY RELATIVISTIC CALCULATIONS OF THE ENERGIES, OSCILLATOR STRENGTHS AND EINSTEIN COEFFICENTS OF THE FORBIDDEN TRANSITIONS FOR Ne-LIKE SEQUENCES

We provide systematic calculations about the energy levels, Einstein coefficients and oscillator strengths for electric quadrupole (E2) and magnetic quadrupole (M2) transitions between n=3 and n=2 of Ne-like systems by using the fully relativistic multi-configuration Dirac-Fock method. The oscillator strengths of the E2 transitions under Coulomb and Babshkin gauges are compared with each other and show the differences from 1.2 to 12 percent. We also found that the M2 line (0.37429 nm) with the biggest oscillator strengths in Ne-like Ag³⁷⁺ mixes with the line (2p⁵_3/23s_1/23d_5/2)_3/2→gs (0.37427 nm) emitted by the Na-like Ag³⁶⁺.     

Mo掺杂TiO2/AC负载膜的制备及光催化活性

溶胶-凝胶法;Mo掺杂TiO2/AC负载膜的制备及光催化活性     

磷钨酸和邻菲哕啉杂多化合物的合成及光催化性能

通过磷钨酸(H3 PW12O40·xH2O)和邻菲罗啉(C12H8N2·H2O)的溶液反应合成了Keggin结构杂多化合物(C12H8N2)2.5·H3PW12O40,用电感耦合等离子体原子发射光谱(ICP-AES)、元素分析(EA)、热重-差热分析(TG-DTA)、傅里叶变换红外光谱(FT-IR)、X射线衍射(XRD...     

布南色林与人血清白蛋白相互作用的光谱学研究

采用荧光光谱研究了模拟生理务件下抗精神病药布南色林与人血清白蛋白的相互作用,结果表明,布南色林对人血清白蛋白的内源性荧光具有猝灭作用且猝灭方式为静态猝灭.布南色林与人血清白蛋白形成了1∶1的复合物,结合常数K=1.80×104L/mol,且金属离子对结合反应具有较显著的影响.根据不同温度下的热力学函数确定了布南色林与人...