SPECIFIC HEAT OF A HEISENBERG SYSTEM WITH FINITE SIZE

Based upon the spin wave theory, the influence of the size of a three-dimensional Heisenberg system on its thermodynamic properties was studied. It is found that the specific heat increases due to the finite size and free surface of the system. For a magnetic film with finite thickness, the interaction of spin waves was also discussed. There exist three additional scattering processes, namely, the scattering between spin waves with wave-vectors parallel to the surface of the film (two-dimensional spin wave), the scattering between two and three-dimensional waves, and the scattering between those waves with the same component in the direction along the thickness of the film. As a result, the T⁴ term, arising from the coupling of spin waves, in the expression of the specific heat of the system, splite into three parts proportional to T^5/2,T^7/2 and T⁴, respectively. Here T is the temperature.     

特征标高度为0具有例外权的不可约H(2r,n)-模

本文主要利用广义限制李代数的概念研究不可约H(2r,n)-模,确定了特征标高度为0,并且具有例外权(-w)k(k=0,1,2,…,r)的极大向量的不可约H(2r,n)-模.     

氨基膦酸羧酸螯合树脂的合成及其对痕量镧系稀土富集分离性能的研究

简要叙述了氨基膦酸羧酸树脂的合成路线 ,用 ICP- AES对其富集分离痕量镧系稀土元素进行了研究 ,讨论了吸附酸度、洗脱、吸附流速以及共存离子干扰等的影响 ,并进行了实际样品的分析 ,获得了满意的结果 .     

13.5—14.6MeV中子能区锗的同位素反应截面的测量

报道了在13.5—14.6MeV中子能区用活化法测得的⁷⁶Ge(n,2n)⁷⁵Ge, ⁷⁰Ge(n,2n)⁶⁹Ge, ⁷⁰Ge(n, p)⁷⁰Ga, ⁷²Ge(n,p)⁷²Ga, ⁷³Ge(n,p)⁷³Ga, ⁷²Ge(n,α)^69mZn和⁷⁴Ge(n, α)^71mZn的反应截面值. 中子注量用⁹³Nb(n,2n)^92mNb反应截面得到. 单能中子由T(d,n)⁴He反应获得. 同时还列举了已收集到的文献值以作比较.     

A New Sesquiterpene Lactone from Ainsliaea bonatii

A new sesquiterpene lactone, Ainsliaolide A, was isolated from Ainsliaea bonatii. The structure was determined on the basis of spectral data.     

DFT Study on the Structure of Ionic Liquid 1-Ethyl-3-methylimidazolium Hexafluorophosphate

1 INTRODUCTION Ionic compounds generally have high melting points and always exist in solid state since they are main- tained by electrovalent bonds. Ionic Liquids (ILs), which are liquids at or near ambient temperature, have been a class of ionic compounds extensively studied experimentally and theoretically in recent years[1, 2]. ILs consist exclusively of anions and ca- tions and do not contain any neutral molecule. They have many attractive properties, such as low vapor pressure, no…     

Chemoenzymatic Synthesis of Cellular Adhesion Tripeptide RGD Precursor in Organic Media

IntroductionA characteristic tripeptide sequence Arg-Gly-Asp(RGD) that is found within fibronectin and other rela-ted adhesion molecules in extracellular matrices(ECM)has received considerable attention from researcherssince it was proved to be a recognit…     

DFT法研究离子液中EMIM~ 催化丁烯双键异构反应机理(II)

用密度泛函理论(DFT)在B3LYP/6鄄31G(d,p)的计算水平上研究了离子液中1鄄乙基鄄3鄄甲基咪唑阳离子(EMIM )的4鄄H和5鄄H原子催化丁烯双键异构反应的可能途径,优化了反应体系的平衡态和过渡态的几何构型,分析了反应过程中键参数的变化,通过振动分析对平衡态和过渡态进行了验证.计算结果表明,离子液中的EMIM 首先通过4鄄H和5鄄H原子吸附丁烯,进而催化丁烯的双键异构反应,EMIM 的4鄄H和5鄄H催化1鄄丁烯异构为2鄄丁烯的正反应活化能分别为204.2和207.3kJ·mol-1,逆反应活化能约为220.9和223.8kJ·mol-1,反应为基元反应.     

DFT法研究分子筛催化trans-2-丁烯的双键异构

利用一个3T簇模型模拟分子筛催化剂的酸性位, 采用密度泛函理论(DFT)的 B3LYP/6-31G(d, p)方法, 研究了分子筛催化1-丁烯双键异构为trans-2-丁烯的反应机理. 对反应各驻点进行了全优化, 经过零点能校正后, 得到了反应的活化能. 研究表明, 反应分三步进行：物理吸附→化学反应→物理脱附. 分子筛的酸性位OH基团首先吸附1-丁烯的双键形成了π配位复合物, 然后按协同反应机理发生双键异构反应, 生成吸附态的trans-2-丁烯, 最后脱附成产物. 计算得到的表观活化能为57.1 kJ•mol^-1, 与实验结果接近.     

Structural Characterization of Anhydroicaritin Glycosides Using ESI—FT—ICR Mass Spectrometry

Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) was used to determine the structures of anhydroicaritin glycosides by the MS/MS experiments of anhydroicaritin glycosides and their methylated derivatives,With high accuracy FT-ICR-MS provides much information about the structures of compounds ,FT-ICR-MS shows the great potential application in the structural characterization of unknown compounds.