1H and 13C NMR assignments of abietane diterpenes from Aegiphila lhotzkyana

An NMR study of one new and several known abietane diterpenes isolated from the roots of Aegiphila lhotzkyana is described. In addition to 1D NMR, several 2D shift‐correlated NMR pulse sequences (¹H–¹H‐COSY, NOESY, HMQC and HMBC) were used to establish all the structures, and unambiguously perform the ¹H and ¹³C chemical shift assignments of the new natural diterpene and three derivatives, the NMR data for which have not been reported previously. Revision of current data assignment for teuvincenone H is also suggested. Copyright © 2003 John Wiley & Sons, Ltd.     

A microspectroscopic study of the electronic homogeneity of ordered and disordered Sr2FeMoO6

Disordered Sr₂FeMoO₆ shows a drastic reduction in saturation magnetization compared to highly ordered samples, moreover magnetization as a function of the temperature for different disordered samples shows qualitatively different behaviours. We investigate the origin of such diversity by performing spatially resolved photoemission spectroscopy on various disordered samples. Our results establish that e_xtensive electronic inhomogeneity, arising most probably from an underlying chemical inhomogeneity in disordered samples, is responsible for the observed magnetic inhomogeneity. It is further pointed out that these inhomogeneities are connected with composition fluctuations of the type Sr₂Fe_1+x Mo_1-x O₆ with Fe-rich (x > 0) and Mo-rich (x < 0) regions. Dedicated to Prof J Gopalakrishnan on his 62nd birthday.     

EXISTENCE AND UNIQUENESS OF THE SOLUTION FOR NONLINEAR THIRD-ORDER ROBIN BOUNDARY VALUE PROBLEM WITH A TURNING POINT

The paper aims to obtain existence and uniqueness of the solution as well as asymptotic estimate of the solution for singularly perturbed nonlinear third- order Robin boundary value problem with a turning point.In order to achieve this aim,existence and uniqueness of the solution for third-order nonlinear Robin boundary value problem is derived first based on the upper and lower solutions method under relatively weaker conditions.In this manner,the goal of this paper is gained by applying the existence and uniqueness results mentioned above.     

Study of local lattice relaxation of substitutional impurities in silicon and germanium

Local lattice relaxation of substitutional donors in silicon investigated using self‐consistent multiple scattering Xα (MSXα) method within the framework of the standard muffin‐tin potential approximation is extended to substitutional donors in germanium and substitutional acceptors in both silicon and germanium. Incorporating the effect of lattice relaxation surrounding the impurity makes the model suitable for both shallow and deep levels. Chemical trends of some aspects of impurity states, such as local lattice relaxation and charge transfer, of the impurities both in silicon and germanium are inferred. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004     

An exponentially fitted special second-order finite difference method for solving singular perturbation problems

An exponentially fitted special second-order finite difference method is presented for solving singularly perturbed two-point boundary value problems with the boundary layer at one end (left or right) point. A fitting factor is introduced in a tri-diagonal finite difference scheme and is obtained from the theory of singular perturbations. Thomas Algorithm is used to solve the system and its stability is investigated. To demonstrate the applicability of the method, we have solved several linear and non-linear problems. From the results, it is observed that the present method approximates the exact solution very well.     

Looking at Fokker-Planck dynamics with a noisy instrument

We consider the class of experiments which can be characterized by a Fokker-PIanck dynamics corresponding to the overdamped motion of a state point in a suitable stochastic potential. We assume that the general form of the potential is known (or can be guessed with reasonable accuracy), but that its parameters are to be determined experimentally by measurements made with a noisy instrument. This possible method for determining the potential parameters, which exploits the system's own internal stochastic motion in order to explore rapidly its available parameter space, is substantially more efficient than traditional methods involving time averages of single point measurements, and yet does not appear to have been previously considered. The method could be important when, for example, the experiment must be completed in a limited time owing either to the expense of the experimental materials or to the temporary stationarity of the preparation, situations which are commonly encountered in experimental biochemistry and biology.     

高频单线圈双调谐NMR单晶探头的研制

本文报道了一种测角单晶NMR探头。该探头采用单线圃双调谐电路,工作频率在90MHz-110 MHz连续可调,可进行交叉极化大功率去耦实验。文中提出了一种简单而有效的测角装置,可使单晶绕三个互相垂直轴转动实现单晶的NMR测量。作为典型的应用例子,本文利用该探头实现了单晶DGO(2NH₂CH₂COOH·H₂C₂O₄)屏蔽张量的测量。     

How should one define a (weak) crystal?

We compare two proposals for the study of positional long-range order: one in terms of the spectrum of the translation operator, the other in terms of the Fourier spectrum. We point out that only the first one allows for the consideration of molecular, as opposed to atomic, (weakly) periodic structures. We illustrate this point on the Thue-Morse system.     

Existence of many ergodic absolutely continuous invariant measures for piecewise-expandingC 2 chaotic transformations in ℝ2 on a fixed number of partitions

Let Ω be a region in ℝⁿ and letp = P_i ) _i ^1m , be a partition ofΩ into a finite number of closed subsets having piecewise C² boundaries of finite(n - 1 )dimensional measure. Let τ:Ω→Ω be piecewise C² onP where, τ_i = τ|p_i is aC ² diffeomorphism onto its image, and expanding in the sense that there exists α > 1 such that for anyi = 1, 2,...,m ‖Dτ_i ^-1 ‖ < α^-1, where Dτ_i ^-1 is the derivative matrixτ _i ^- 1 and |‖·‖ is the Euclidean matrix norm. By means of an example, we will show that the simple bound of one-dimensional dynamics cannot be generalized to higher dimensions. In fact, we will construct a piecewise expanding C² transformation on a fixed partition with a finite number of elements in ℝ², but which has an arbitrarily large number of ergodic, absolutely continuous invariant measures     

负电子亲和势GaAs光电阴极中的三光子激发和发射的理论研究

将三阶微扰理论应用于单晶GaAs半导体,结合与实际相接近的能带结构,得到了GaAs中三光子吸收系数的解析式表达式,在考虑了激发电子的逃逸过程的情况下,进而推导了负电子亲和势GaAs光电阴极中三光子光电发射的发射系数的解析表达式.两表达式得到的理论数值分别与用ns量级脉宽、2.06μm波长的激光测得的GaAs中三光子吸收系数和GaAs(Cs,O)光电阴极中三光子发射系数的实验值相比较,吻合较好.