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31.
32.
本文通过对大量的黄酮类化合物13C NMR图谱的分析和研究,总结了不同类型的黄酮类化合物的13C NMR图谱特征及化学位移规律.对影响黄酮类化合物结构骨架上不同位置碳原子化学位移的因素进行了分析,建立了用于黄酮类天然产物13C NMR图谱智能解析的知识库. 相似文献
33.
一类Narcissistic反应过渡态的优化 总被引:1,自引:0,他引:1
我们对一类narcissistic 反应XCH_2-CH_2Y→[过渡态TS]→YCH_2—CH_2X (1)进行了研究,结果表明其过渡态能在对称性限制下由能量极小化方法较容易地给出. 采用IMSPAK分子轨道从头算程序,在IBM VM/370计算机系统上用STO—3G极小基组以平衡几何构型的能量梯度优化方法,在对称性限制下对反应(1)的几种反应体系的过渡态构型进行了优化,其结果列于表1. 相似文献
34.
采用固源Si分子束外延,在较高的生长温度于Si(100)衬底上制备出Si1-xGex/Si量子阱发光材料。发光样品的质量和特性通过卢瑟福背散射、X射线双晶衍射及光致发光评估。背散射实验中观察到应变超晶格的反常沟道效应;X射线分析表明材料的生长是共度的、无应力释放的,结晶完整性好。低温光致发光主要是外延合金量子阱中带边激子的无声发射和横光学声子参与的激子复合。并讨论了生长温度对量于阱发光的影响。 相似文献
35.
36.
37.
Alp E. E. Sturhahn W. Toellner T. S. Zhao J. Hu M. Brown D. E. 《Hyperfine Interactions》2002,144(1-4):3-20
Nuclear resonant inelastic X-ray scattering of synchrotron radiation is being applied to ever widening areas ranging from
geophysics to biophysics and materials science. Since its first demonstration in 1995 using the 57Fe resonance, the technique has now been applied to materials containing 83Kr, 151Eu, 119Sn, and 161Dy isotopes. The energy resolution has been reduced to under a millielectronvolt. This, in turn, has enabled new types of
measurements like Debye velocity of sound, as well as the study of origins of non-Debye behavior in presence of other low-energy
excitations. The effect of atomic disorder on phonon density of states has been studied in detail. The flux increase due to
the improved X-ray sources, crystal monochromators, and time-resolved detectors has been exploited for reducing sample sizes
to nano-gram levels, or using samples with dilute resonant nuclei like myoglobin, or even monolayers. Incorporation of micro-focusing
optics to the existing experimental setup enables experiments under high pressure using diamond-anvil cells. In this article,
we will review these developments.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
38.
In this paper we discuss thermodynamics parameters of black hole horizon and cosmological horizon in general high-dimensional space-time. We obtain that the entropy of a cosmological horizon can be described by the Cardy-Verlinde formula. However, the entropy of black hole horizon will be expressed in a form of the Cardy-Verlinde formula, if one adopts the methods given by Abbott and Deser to compute the mass of a black hole in general high-dimensional space-time. Through discussion, relation among various thermodynamics parameters of the black hole in general high-dimensional space-time is given. That is, differential formula of the first law of thermodynamics is obtained. Because we discuss the general high-dimensional space-time, our result has universality.
PACS: 04.20.Dw, 97.60.Lf 相似文献
39.
Ying Zhang Gang Hu Shigang Chen H.A. Cerdeira 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,27(3):381-384
A method of controlling global stochasticity in Hamiltonian systems by applying nonlinear perturbation is proposed. With the
well-known standard map we demonstrate that this control method can convert global stochasticity into regular motion in a
wide chaotic region for arbitrary initial condition, in which the control signal remains very weak after a few kicks. The
system in which chaos has been controlled approximates to the original Hamiltonian system, and this approach appears robust
against small external noise. The mechanism underlying this high control efficiency is intuitively explained.
Received 15 January 2002 Published online 6 June 2002 相似文献
40.
The phase boundary theory and the contact rule of phase regions are compared, and some weaknesses of the latter are manifested.
The comparison between the Gupta’s method and the boundary theory method for constructing multicomponent isobaric sections
is also presented. 相似文献