Geometric meanings of the parameters on rational conic segments

Using algebraic and geometric methods,functional relationships between a point on a conic segment and its corresponding parameter are derived when the conic segment is presented by a rational quadratic or cubic Bézier curve.That is,the inverse mappings of the mappings represented by the expressions of rational conic segments are given.These formulae relate some triangular areas or some angles,determined by the selected point on the curve and the control points of the curve,as well as by the weights of the rational Bézier curve.Also,the relationship can be expressed by the corresponding parametric angles of the selected point and two endpoints on the conic segment,as well as by the weights of the rational Bézier curve.These results are greatly useful for optimal parametrization,reparametrization,etc.,of rational Bézier curves and surfaces.     

G3B3和CBS-QB3在化学键裂解能计算中的相关研究

The performance of the newly developed G3B3 and CBS-QB3 methods in calculating absolute bond dissociation energy (BDE) was assessed. It was found that these two methods could predict the BDE with an accuracy of about 8.4 kJ/mol and therefore, they exlfibited similar performance as the standard G3 and CBS-Q methods. On the other hand, it was demonstrated that the B3LYP method significantly underestimated the absolute BDE by 16.7—20.9 kJ/mol. This finding was valuable and timely because many researchers could use this relatively cheap method in studying radical reactions. Finally, 38 compounds were showed for which the theoretical BDE seriously deviated from the experimental data.     

Tb3+掺杂纳米WO3的制备及其光催化性能

用Na2WO4和盐酸反应新生成的H2WO4与Tb(NO3)3,H2C2O4作起始原料,制备了稀土离子Tb3+掺杂的WO3纳米粉体,并采用透射电子显微镜(TEM)、X-射线粉末衍射(XRD)、漫反射光谱(DRS)和光电子能谱(XPS)等手段对其结构进行了表征.实验证明,稀土离子Tb3+的掺杂能拓展WO3的光响应范围,显著提高WO3对可溶性染料罗丹明B的光催化降解率和抗光腐蚀性.     

Effect of B2O3 on Judd—Ofelt parameters of Er^3＋—doped tellurite glasses

We have prepared Er^3 -doped borotellurite glasses using conventional melting and quenching method.The absorption spectrum analysis is performed on the basis of Judd-Ofelt theory.The effects of B2O3 on the spectroscopic parameters such as intersity parameters,line strengths of electric-dipole transitions,and sopontaneous emission probability are discussed.     

去B链羧端六肽(B25—30)胰岛素初步结晶学研究

去B链羧端六肽(B25—30)胰岛索,采用悬挂液滴气相扩散法,在柠檬酸纳缓冲液pH 5.8;含有丙酮和氯化钠体系中,获得可供X射线晶体结构分析用的单晶体,其衍射分辨率在1.5以上,晶体外形为三角形。属于单斜晶系,空间群为C2,晶胞参数为α=42.60,b=37.87,c=27.118,β=125.35°。其结构分析工作正在进行中。     

富勒烯C36及其衍生物C36H2n的量子化学研究

应用密度泛函B₃LYP方法和从头算(abinitio)HF方法,在3-21G理论水平上,对具有C_2v,D_2d,D_3h和D_6h对称性的四种C₃₆异构体以及在保持D_2d,D_3h和D_6h对称性条件下形成的不同氢化物进行了量子化学计算,研究了它们在不同量子态时的分子几何构型和电子结构.结果表明,电子相关效应在C₃₆簇化合物的电子结构中起着重要作用.它们最稳定的结构是C₃₆的³A_2u量子态D_6h异构体,而C₃₆的氢化物是在D_3h异构体的C₂位置等同碳原子上形成的¹A_1'量子态氢化物C₃₆H₁₂.     

废水中痕量酚的流动注射停流-催化光度法测定

基于在硫酸介质中痕量酚对溴酸钾氧化罗丹明B反应的催化作用,建立了测定痕量酚的快速、简便的流动注射流－催化光度分析的新方法。该方法的线性范围为0．60－4．00mg/L,检出限为0．1mg/L,进样频率为34／h。11次重得测定的相对标准偏差小于2．0％。该法用于废水中酚的测定,并与4－氨基安替比林比色法对照,结果满意。     

阻抑动力学分光光度及荧光光度法测定微量碘

在稀磷酸介质中,微量碘离子对亚硝酸根催化溴酸钾氧化吡罗红B褪色及荧光猝灭的反应有显著阻抑作用,以此为指示反应提出了测定微量碘离子的阻抑动力学光度和阻抑动力学荧光分析新方法。测定碘离子的线性范围分别为4-200μg/L和3-40μg/L,检出限分别为2.8μg/L和1.6μg/L。用于食品中微量碘的测定,结果满意。