Pyrene分子(小片石墨晶体)的电子传导特性

利用量子理论中基于Green函数的tight-binding方法,对pyrene分子的电子传导和电子流分布进行了理论研究。在考虑到界面耦合和Hopping积分的情况下,得出了电子透射谱和流分布的模拟结果。结果显示透射与电子的能量紧密相关;谱的振荡特征是能级量子化的结果;流分布有着特定的方向,并且在每一个原子点上符合Kirchhoff量子流守恒定律。另外还发现了桥接pyrene分子的正负能开关特性。     

一个解决溶剂峰分离的新手段

在凝胶色谱的测试中,由于样品和溶剂的原因,经常会出现溶剂峰.目前,普遍认为,溶剂峰的出现是有两个原因造成的,一是样品中未反应的单体、合成过程中加入的低分子添加剂等小分子的物质,或者一些容易吸潮的样品,吸收了空气中的水份.另外一个原因是凝胶色谱仪器用的流动相的溶剂和溶解样品的溶剂不是同一批号.例如,新出厂的四氢呋喃(THF)试剂,为了防止试剂的氧化,一般都加入一些抗氧化剂.溶剂峰出现的干扰了我们的数据处理的结果.     

林杏琴会堂的音质分析及改进设想

采用精密声级计和双通道声学分析仪，对林杏琴会堂的声场分布、噪声本底和混响时间作了分区测试，应用建筑声学理论对会堂的音质状况进行了分析，并提出改善会堂音质的若干建议．     

关联规则增量式更新的改进算法

关联规则是数据挖掘中的重要研究内容之一，对在事务数据库不变，只对最小支持度和最小可信度进行改变的情况下，针对关联规则的维护问题，设计了一个增量式更新的改进算法AIUA。     

高压静电场促进植物生长技术的研究

高压静电场促进植物生长技术源于自然又高于自然 ,它包括静电种子处理和静电场生长环境等技术 .文章论述了该技术的实施方法 ,并报道了已经取得的初步成果 .     

Improved Synthesis and Structure of 3-Carboxy-2-pyrazinecarbohydroxamic Acid

3-Carboxy-2-pyrazinehydroxamic acid was prepared by a one pot reaction starting from pyrazine-2,3-dicarboxylic anhydride with a high yield, and characterized by IR, Mass spectrum, 1H NMR and 13C NMR spectra and single-crystal X-ray diffraction. It crystallizes in triclinic, space group Pī with a=4.8659(10), b=7.4233(15), c=11.602(2), α=96.904(2), β=92.422(3), γ=107.454(2)°, V=395.51(14)3 , Z=2, Dc=1.689g/cm3 , F(000)=208, μ(MoKα)=0.149 mm-1 , the final R=0.0473 and wR=0.1306 for 2853 observed reflections (I>2σ (I)). A three-dimensional framework was assembled through intermolecular hydrogen bonding between water and 3-carboxy-2-pyrazine-carbohydroxamic acid molecules.     

三光气与酚制备三氯甲氧基甲酸芳酯研究

研究了不同取代酚与三光气的反应,得到七种未见报道的新化合物,以IR、MS、1H NMR、13C NMR对产物进行了表征,并探索得到合适的反应催化剂、反应物浓度配比、反应时间,讨论了酚上不同取代基对反应的影响,收率在78.5～90.5%之间。     

Tensor force effect on proton shell structure in neutron-rich Ca isotopes

In the framework of the Skyrme-Hartree-Fock approach with 36 sets of the TI J parameterizations,the tensor force effect on the evolution of the single-proton states in the calcium isotopes is systematically investigated.It is shown that the single-proton states with higher angular momenta are influenced significantly by the tensor force and the trend in the evolution of somesingle-particle energy differences with the mass number of the isotopes depends sensitively on a parameter βT associated with the intensity of the tensor force.To understand this phenomenon,we analyze the spin-orbit potentials and the radial wave functions of relevant single-proton orbits in detail.In addition,it is found that some TI J interactions could cause the 2s1/21d3/2 energy level inversion in 48Ca.     

Application of wavelet transform in-ray spectra analysis

The frequency distribution of different ingredients in-ray spectra,e.g.,photo-peak,fluctuations of counts and Compton region,is separately analyzed.After wavelet transform of-ray spectra,the wavelet coefficients of a photo-peak increase with transforming scales and these coefficients show direct proportion with intensity of peak at determinate scale.A novel algorithm based on wavelet transform is proposed and studied.The results indicate that most of the photo-peaks in multi-spectra can be determined accurately,the-rays energy and intensity of the peak can also be determined.This method has the prospect of being applied in on-line multi-spectra analysis in such fields as radioprotection and nuclear safety monitoring.     

Magnetic properties and magnetocaloric effects in amorphous and crystalline Gd55Co35Ni10 ribbons

The magnetic properties and magnetocaloric effects of amorphous and crystalline Gd55Co35Ni10 ribbons are investigated.A main phase with a Ho 12 Co 7-type monoclinic structure(space group P21/c) and a minor phase with a Ho4Co3-type hexagonal structure(space group P63/m) are obtained for crystalline ribbon after annealing.The amorphous ribbons order ferromagnetically and undergo a second-order transition at 192 K.For crystalline Gd55Co35Ni10 ribbons,two magnetic phase transitions occur at 158 and 214 K,respectively.The peak value of-△SM under a field change of 0-5 T is 6.5 J/kg K at 192 K for amorphous Gd55Co35Ni10 ribbons.A relatively large magnetic entropy change(～5.0 J/kg K) under a field change of 0-5 T for the crystalline Gd55Co35Ni10 ribbons is obtained in the temperature interval range of 154-214 K.The large platform of magnetic entropy change and the negligible thermal/magnetic hysteresis loss mean the crystalline Gd55Co35Ni10 compound can satisfy the requirement of the Ericsson-type refrigerator working in the temperature range from 154K to 214K.