An application of chemometric techniques to analyze the effects of the wave function modifications on the intermolecular stretching frequencies of the hydrogen-bonded complexes

Factorial design and principal component models are used to determine how ab initio H-bond stretching frequencies depend on characteristics of the molecular orbital wave functions of acetylene–HX, ethylene–HX and cyclopropane–HX π-type hydrogen complexes with X=F, Cl, CN, NC and CCH. The results obtained for the three sets of complexes show that factorial design and principal component analyses complement each other. Factorial design calculations clearly show that these frequencies are affected mostly by inclusion of electron correlation on the calculation level. On average, their values are increased by about 25 cm⁻¹ due to a change from the Hartree–Fock (HF) to Möller–Plesset 2 (MP2) level. Valence, diffuse and polarization main effects as well as valence–diffuse, diffuse–correlation and polarization–correlation interaction effects are also important to better describe a factorial model to the H-bond stretching frequencies of these hydrogen complexes. This simplified model has been successful in reproducing the complete ab initio results, which correspond to two hundred and forty calculations. Principal component analyses applied only to hydrogen-bonded complexes whose experimental frequencies are known, has revealed that the six-dimensional original space can be accurately represented by a bidimensional space defined by two principal components. Its graphical representation reveals that the experimental intermolecular stretching frequencies are in closest agreement with the MP2/6–31+G and MP2/6–311+G ab initio results.     

宽工作电压范围单电源CMOS误差放大器

采用0.8μm标准数字CMOS工艺(VTN0=0.836V,VTP0=0.930V),设计并流片验证了具有宽工作电压范围(3～6V),可作SOC系统动态电源管理芯片内部误差放大器应用的单电源CMOS运算放大器。该误差放大器芯核同时具有适合低电压工作,并对工艺参数变化不敏感的优点。对于相同的负载情况,在3V的工作电压下,开环电压增益AD=83.1dB,单位增益带宽GB=2.4MHz,相位裕量Φ=85.2°,电源抑制比PSRR=154.0dB,转换速率Sr=2.2V/μs;在6V工作电压下,AD=85.1dB,GB=2.4MHz,Φ=85.4°,PSRR=145.3dB,Sr=3.4V/μs。     

Magnetotransport Calculations for Two-Dimensional Electrons with Spin-Orbit Interaction

We present calculations of the magnetoconductivity in a two-dimensional electron system including the Rashba spin-orbit interaction. Essential for these calculations is an extension of the self-consistent Born approximation which takes into account the electron spin degree of freedom. The calculated magnetoconductivity exhibits, besides the beating in the Shubnikov-de Haas oscillations, a modulation related to the spin-orbit induced crossings of Landau levels, as a consequence of spin-conserving scattering between spin-orbit coupled states.     

温州市龙湾段标准堤工程软土地基变形原位观测

温州市龙湾段标准堤地基土中普遍存在一层海积淤泥,其强度低,压缩性高,承载力低,不能满足标准堤填筑及水闸运行的要求。采用预压法进行地基处理,取得的地基沉降、水平位移、孔隙水压力等现场观测资料,总结分析了该段海积淤泥地基的变形规律和特点。并提供了有关的原型观测数据,其沉降曲线规律性较好。     

高抗挤厚壁套管的性能及应用效果评价

中原油田套管损坏的主要原因是现有套管强度不够,无法抵抗盐膏层段的巨大外挤力。开发了TP130TT型高抗挤厚壁套管,其强度能很好地抵抗盐膏层巨大外挤力。实验室试验表明,各项性能指标达到了设计要求,现场使用取得了很好的效果,解决了中原油田盐膏层段套管强度不足的难题。     

Anthocyanin composition of the red wine Babić affected by maceration treatment

Identification of anthocyanins in the wine made of the Croatian autochthonous grape variety of Babić (Vitis vinifera L.) was carried out and their profile was determined by means of high-performance liquid chromatography with diode array and mass spectrometric detection. Dependence of anthocyanins content and profile on maceration treatment conditions was investigated. Statistically significant differences of anthocyanins concentration in wines Babić produced by various maceration treatments were confirmed by the use of multivariate analysis of variances. The investigation results indicated that the maceration temperature exerts higher influence on anthocyanins concentration than the duration of maceration. In addition, on the basis of anthocyanin composition and using different multivariate statistical analyses, differentiation of wines Babić according to maceration treatments was procured.     

基于Matlab与VC混合编程的研究

针对Matlab和Visual C^ 应用的特点，讨论了在VC中调用Matlab的3种方法，着重介绍了利用Matcom和Matlab编译器进行混合编程的方法和步骤，为开发处理大量数据的应用程序提供了依据。     

聚甲亚胺改性尼龙6复合材料的等温结晶动力学

采用差示扫描量热法（DSC）对聚甲亚胺（PAM）/尼龙6复合材料等温结晶过程进行了研究。结果表明，PAM的加入使得基体的结晶速率增大，尤其是当含量为5%时，半结晶期明显减少。研究还发现，该体系的等温结晶过程完全可以用Avrami方程来描述，各试样的Avrami指数均在2-3之间，表明Avrami指数，球晶生长方式基本不受聚甲亚胺加入的影响。基体中原位形成的聚甲胺微纤起到了诱导结晶的作用，使得基体的结晶速率加快，但随着微纤含量的增加，由于分散性能变差而使得诱导结晶的能力减弱，表现为结晶速率又有所降低。