Spectroscopically determined potential energy surfaces of the H2O, H2O, and H2O isotopologues of water

Adiabatic potential energy surfaces (PESs) for three major isotopologues of water, H₂¹⁶O, H₂¹⁷O, and H₂¹⁸O, are constructed by fitting to observed vibration-rotation energy levels of the system using the nuclear motion program DVR3D employing an exact kinetic energy operator. Extensive tests show that the mass-dependent ab initio surfaces due to Polyansky et al. [O.L. Polyansky, A.G. Császár, S.V. Shirin, N.F. Zobov, P. Barletta, J. Tennyson, D.W. Schwenke, P.J. Knowles, Science 299 (2003) 539-542.] provide an excellent starting point for the fits. The refinements are performed using a mass-independent morphing function, which smoothly distorts the original adiabatic ab initio PESs. The best overall fit is based on 1788 experimental energy levels with the rotational quantum number J = 0, 2, and 5. It reproduces these levels with a standard deviation of 0.079 cm⁻¹ and gives, when explicit allowance is made for nonadiabatic rotational effects, excellent predictions for levels up to J = 40. Theoretical linelists for all three isotopologues of water involved in the PES construction were calculated up to 26 000 cm⁻¹ with energy levels up to J = 10. These linelists should make an excellent starting point for spectroscopic modelling and analysis.     

A novel 4‐methylene‐3‐borahomoadamantane: 1,1‐organoboration of an alkyn‐1‐ylsilane using 1‐boraadamantane

1,1‐Dibromo‐2,2‐bis(trimethylsilylethynyl)ethene ( 2 ) reacts with two equivalents of 1‐boraadamantane ( 1 ) by 1,1‐organoboration of both trimethylsilylethynyl groups to give a triene 3 bearing two 4‐methylene‐3‐borahomoadamantane moieties in terminal positions. The triene was characterized by one‐ and two‐dimensional ¹H, ¹¹B, ¹³C and ²⁹Si NMR spectroscopy in solution and X‐ray structural analysis in the solid state. The planes of the C double bond are strongly twisted against each other as a result of the bulky substituents, and the surroundings of the boron atoms deviate from the ideal trigonal planar geometry owing to the tension in the tricyclic frameworks. Copyright © 2006 John Wiley & Sons, Ltd.     

Cu(2)O nanowires in an alumina template: electrochemical conditions for the synthesis and photoluminescence characteristics.

Cu2O nanowires, mainly consisting of (100) and (200) polycrystalline structures with a length of 4 mum are prepared by electrochemical deposition using a porous alumina template. It is found that the optimized electrochemical conditions to prepare Cu2O nanowires are different from those for the formation of a bulk thin Cu2O layer since different pH values are found between the tip of the pores and the bulk, due to diffusion limits in porous alumina with an extremely high aspect ratio of 300. We point out that Cu2O (200), Cu2O (111), Cu, and co-deposited alloys can be obtained under specific electrochemical conditions. In addition, the optical band gap of the prepared Cu2O nanowires with a length of 4 microm and a diameter of 200 nm is estimated to be 2.17 eV from photoluminescence measurements.     

1H and 13C NMR and X‐ray diffraction data for a diosgenyl N,O‐protected glucopyranoside

The assignments of ¹H and ¹³C NMR chemical shifts together with x‐ray diffraction data for synthesized diosgenyl 3,4,6‐tri‐O‐acetyl‐2‐deoxy‐2‐tetrachlorophthalimido‐β‐D ‐glucopyranoside are described. The structure of this glycoside was established by using homo‐ and heteronuclear two‐dimensional NMR techniques. X‐ray diffraction data for this compound are also reported. Copyright © 2002 John Wiley & Sons, Ltd.     

Upper limit on the flux of gravitational wave bursts

Summary The data obtained with three highly sensitive gravitational wave antennas have been used to establish an improved observational upper limit on the flux of impulsive gravitational waves. Preliminary results under the assumption of a source located in the center of the Galaxy are also reported. To speed up publication, the proofs were not sent to the authors and were superised by the Scientific Committee.     

The limiting absorption principle for the two-dimensional inhomogeneous anisotropic elasticity system

In this work we establish the limiting absorption principle for the two-dimensional steady-state elasticity system in an inhomogeneous aniso- tropic medium. We then use the limiting absorption principle to prove the existence of a radiation solution to the exterior Dirichlet or Neumann boundary value problems for such a system. In order to define the radiation solution, we need to impose certain appropriate radiation conditions at infinity. It should be remarked that even though in this paper we assume that the medium is homogeneous outside of a large domain, it still preserves anisotropy. Thus the classical Kupradze's radiation conditions for the isotropic system are not suitable in our problem and new radiation conditions are required. The uniqueness of the radiation solution plays a key role in establishing the limiting absorption principle. To prove the uniqueness of the radiation solution, we make use of the unique continuation property, which was recently obtained by the authors. The study of this work is motivated by related inverse problems in the anisotropic elasticity system. The existence and uniqueness of the radiation solution are fundamental questions in the investigation of inverse problems.

     

A diffusion equation in transparent media

In this paper we study the homogeneous relativistic heat equation (HRHE) obtained as asymptotic limit of the so-called relativistic heat equation (RHE) when the kinematic viscosity ν → ∞. These equations were introduced in the theory of radiation hydrodynamics to guarantee a bounded speed of propagation of radiating energy. We shall prove that this is indeed true, and we shall construct some explicit solutions of the HRHE exhibiting fronts propagating at light speed.     

Dissipation of laser-radiation energy in the gas surrounding a target in intense plasma formation

For the first time, the dissipation of laser-radiation energy in the gas surrounding a target is investigated under the conditions of intense plasma formation near a surface and the existence of large spots of: irradiation. The parameters of different regions of the heated gas are measured and an energy balance of the process of laser effects is obtained. Institute of Molecular and Atomic Physics, National Academy of Sciences of Belarus, 70, F. Skorina Ave., Minsk, 220072, Belarus. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 65, No. 6, pp. 814–817, November–December, 1998.     

浮栅ROM器件x射线剂量增强效应实验研究

给出了浮栅ROM器件在钴源和北京同步辐射装置(BSRF)3W1白光束线辐照的实验结果;比较了两种辐照的实验结果及其损伤异同性.通过实验在线测得位错误数随总剂量的变化,给出相同累积剂量时x射线辐照和γ射线辐照的总剂量效应损伤等效关系.获得了浮栅ROM器件x射线剂量增强因子.这些结果对器件抗x射线辐射加固技术研究有重要价值 关键词： EEPROM x射线 剂量增强剂量效应 同步辐射     

具有原子分辨率的x射线荧光全息术的数值模拟研究

根据x射线荧光全息术的成像原理，对体心立方晶系的Fe单晶进行了数值模拟（包括荧光全 息图及其重构像），在各个晶面（001，010，100）上得到Fe原子的像，与Fe的晶格模型的 原子位置一致，表明运用这种x射线荧光全息术，能够在原子水平上得到单晶或准晶体的内 部结构图像. 关键词： x射线荧光全息术 同步辐射 晶体结构 傅里叶变换