空间群O_h~7O~4T~2母分系数的计算

在群链G G_1 G_2中,把两个子群的IR(不可约表示)基相乘,然后把乘积基耦合成IR基,耦合系数我们称之为母分系数。本文把陈金全创立的本征函数法用于计算空间群的群链O_h~7 O~4 T~2的母分系数,计算的结果显示母分系数是满足正交关系,同时也说明此方法是适用的。     

平方配凑法求三角函数的最值

本文给出求一类三角正弦或余弦函数的最值问题的方法——"平方配凑法".此法是先将原(非负)函数转化为其平方函数,再利用均值定理及配凑待定系数的手法求出平方函数的最值,从而最终求得原函数的最值.此法操作性较强,可供同学们参考.     

Exact solutions of the nonlinear differential-difference equations associated with the nonlinear electrical transmission line through a variable-coefficient discrete（G＇/G）-expansion method

We investigated exact traveling soliton solutions for the nonlinear electrical transmission line. By applying a concise and straightforward method, the variable-coefficient discrete（G /G）-expansion method, we solve the nonlinear differential–difference equations associated with the network. We obtain some exact traveling wave solutions which include hyperbolic function solution, trigonometric function solution, rational solutions with arbitrary function, bright as well as dark solutions.     

拉脱法测液体表面张力系数的误差分析

对拉脱法测量液体表面张力系数实验的原理和仪器做了简要的介绍,并着重对该实验误差的来源进行了分析探讨。     

水汽分子对CO2谱线加宽的影响

报道了以高分辨力连续可调谐中红外差频激光为探测光源,结合可调长光程怀特池,利用直接吸收的方法探测了CO2的10011←10002带R支以及部分P支在室温下的水汽加宽吸收光谱。在2 422 cm-1到2 457 cm-1范围内共有26条吸收谱线被探测到,采用Voigt线型对吸收谱线进行拟合,得到了CO2光谱的水汽加宽系数,结果显示CO2的水汽加宽系数平均比干燥空气的加宽系数大52%。利用实验测得的CO2的水汽加宽系数与HITRAN04数据库中CO2谱线的线位置、线强和干燥的空气加宽系数进行比较,分析了在实际大气中(海平面,10 km光程)不存在水汽和存在水汽(含有2.0 kPa水汽)时该波段CO2的大气透过率,结果表明潮湿空气与干燥空气之间的最大透过率差约为0.5‰。     

1,3-取代方酸衍生物非线性光学性质的从头算和半经验方法的比较研究

The structures of 1,3-substituted squaraine derivatives Sq1 ～ Sq12 were fully optimized by ab initio HF method with 6-31G* basis set level,and the electronic structures of Sq1 ～ Sq12 were also calculated. Based on the optimized structures,the electronic spectra were obtained by the CIS / 6-31G* method,which suggested that the max absorption wavelength mainly resulted from the electronic transition from HOMO to LUMO. The second nonlinear optical coefficients（β0）were calculated using ab initio CPHF method at 6-31G* basis set level and FF / AM1,FF / PM3,FF / MNDO,FF / MINDO3 methods. A systematic comparison between the results was carried out. It indicated that the second nonlinear optical coefficients were affected dramatically by the properties of five-membered hetero-rings. β0 can be enhanced by introducing pyrrole,thiazole and oxazole. The position of five-membered rings containing two heteroatoms which were connected with four-membered squaraine rings also affected β0 .     

等压法测定298.15K下LiCl-CaCl2-H2O体系的活度系数

The isopiestic method was used to determinate isopiestic molality and osmotic coefficients in single-salt solutions of LiCl-H2O(molality range from 0.5 to 9.0 mol· kg-1),CaCl2-H2O(molality range from 0.35 to 5.2 mol· kg-1) and multisalt solution LiCl-CaCl2-H2O(ionic strength range from 0.5 to 15.7 mol· kg-1) at 298.15K,from which Pitzer's interaction parameters of single salt ,mixed salts of the systems were obtained.The mean ionic activity coefficients of LiCl、 CaCl2 in pure and mixed solutions were reported.     

K系数—多波长线性回归吸光光度法同时测定人发中铜铁锌

将双波长K系数吸光光度法与多波长线性回归吸光光度法相结合,提出一种同时测定三组分的方法,即K系数－多波长线性回归吸光光度法,采用OP－5－Br-PADAP为显色体系,控制溶液PH值为5．7,利用此方法对人发中铜、铁、锌同时测定,结果满意,相对标准偏差为0．59％－4．95％,加标加收率为95．0％－105．0％之间。方法具有简便,选择性及灵敏高的优点。     

孔雀绿与CTAB胶束的相互作用

以CTAB胶束模拟生命体系,用UV-Vis和荧光光谱等技术研究了孔雀绿与CTAB胶束的相互作用.结果表明,孔雀绿自发地定位于CTAB胶束栅栏层,使得胶束聚集数增加,胶束的微环境极性I1/I3下降.孔雀绿与CTAB胶束之间的结合常数K和孔雀绿在胶束相与水连续相之间的分配系数KD均随孔雀绿浓度增加而降低,表明孔雀绿与CTAB胶束之间的相互作用随孔雀绿浓度增加而降低.     

CdO掺杂对BaTiO3基半导化陶瓷PTCR效应的改善

钛酸钡基半导化陶瓷中的PTCR效应通常与材料中的施受主掺杂切相关,蒸汽掺杂能够大幅度影响材料的PTCR效应。CdO在高温下具有较高的蒸汽压,是一种适用的蒸汽掺杂剂,研究了CdO以及CdO蒸汽对掺Y^3+的Ba1-xSrxTiO3陶瓷的PTCR效应的影响,结果首次发现了Cd^2+掺杂样品的PTCR效应都有不同程度的提高,采用蒸汽掺杂时,效果更为显著。现有的理论很难解释Cd^2+掺杂能够提高钛酸钡基材料PTCR效应。我们从缺陷化学的角度,分析了Cd^2+在BaTiO3基材料中的行为,推断表明这种现象可能是由于铁电相变时,处于晶界区的Cd^2+在Ba位和Ti位之间转换造成的。