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21.
《Magnetic resonance in chemistry : MRC》2003,41(6):417-430
A systematic study of the one‐bond and long‐range J(C,C), J(C,H) and J(H,H) in the series of nine bicycloalkanes was performed at the SOPPA level with special emphasis on the coupling transmission mechanisms at bridgeheads. Many unknown couplings were predicted with high reliability. Further refinement of SOPPA computational scheme adjusted for better performance was carried out using bicyclo[1.1.1]pentane as a benchmark to investigate the influence of geometry, basis set and electronic correlation. The calculations performed demonstrated that classical ab initio SOPPA applied with the locally dense Dunning's sets augmented with inner core s‐functions used for coupled carbons and Sauer's sets augmented with tight s‐functions used for coupled hydrogens performs perfectly well in reproducing experimental values of different types of coupling constants (the estimated reliability is ca 1–2 Hz) in relatively large organic molecules of up to 11 carbon atoms. Additive coupling increments were derived for J(C,C), J(C,H) and J(H,H) based on the calculated values of coupling constants within SOPPA in the model bicycloalkanes, in reasonably good agreement with the known values obtained earlier on pure empirical grounds. Most of the bridgehead couplings in all but one bicycloalkane appeared to be essentially additive within ca 2–3 Hz while bicyclo[1.1.1]pentane demonstrated dramatic non‐additivity of ?14.5 Hz for J(C,C), +16.6 Hz for J(H,H) and ?5.5 Hz for J(C,H), in line with previous findings. Non‐additivity effects in the latter compound established at the SOPPA level should be attributed to the through‐space non‐bonded interactions at bridgeheads due to the essential overlapping of the bridgehead rear lobes which provides an additional and effective non‐bonding coupling path for the bridgehead carbons and their protons in the bicyclopentane framework. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
22.
A sample of 1233 events is used to study the general characteristics of {}^{16}O-Em interactions at 4.5 A GeV/c. Multiplicity and angular distributions of slow particles and correlations among them are discussed. The present data are compared with the corresponding results from the interactions of other projectiles at the same energy and also the same projectile at different energies. The results indicate that black particle production is independent of the energy and mass of the projectile, but for grey particles it is dependent on the mass of projectile. 相似文献
23.
HUA Jianjun LIU Yanhong & ZHANG Zhihe . Institute of Physics Chinese Academy of Sciences Beijing China . College of Biomedical Engineering Capital University of Medical Sciences Beijing China Correspondence should be addressed to Hua Jianjun 《中国科学G辑(英文版)》2004,(1)
Adustyplasmacanbedefinedasacomplicatedplasmacontainingsmallsolidmattercalleddustgrainsordustparticles,whichareusuallychargednegatively,duetoelectronshighermobilitythanion,bycollectingelectronsandionsfromthebackgroundplasma.Theuniverseisfilledwithdustyplasmassuchasplanetaryrings,comettails,andnebulae.Also,inindustrialplasmaprocessing,particulatessuspendedinplasmaarethemajorcontaminationinsemiconductormanufacture.Studiesondustyplasmahavebeenextendedtofar-flungtopicssuchaswaves,instabilities,stro… 相似文献
24.
Aernout C. D. van Enter 《Journal of statistical physics》1987,47(5-6):905-910
Some recent results on one-dimensional spin-glass models with polynomially decreasing interactions are described. 相似文献
25.
一类混合型微分差分方程的周期解 总被引:1,自引:0,他引:1
利用Fenchel变换,我们推出一类微分差分方程存在周期解等价于某泛函具有临界点,并求出方程具有周期解的充分条件. 相似文献
26.
Song LI Guo Mao WANG Zhi Song LIU 《数学学报(英文版)》2005,21(6):1475-1486
The purpose of this paper is to investigate the mean size formula of wavelet packets in Lp for 0 〈 p ≤ ∞. We generalize a mean size formula of wavelet packets given in terms of the p-norm joint spectral radius and we also give some asymptotic formulas for the Lp-norm or quasi-norm on the subdivision trees. All results will be given in the general setting, 相似文献
27.
The lattice profile analyzes the intrinsic structure of pseudorandom number sequences with applications in Monte Carlo methods and cryptology. In this paper, using the discrete Fourier transform for periodic sequences and the relation between the lattice profile and the linear complexity, we give general formulas for the expected value, variance, and counting function of the lattice profile of periodic sequences with fixed period. Moreover, we determine in a more explicit form the expected value, variance, and counting function of the lattice profile of periodic sequences for special values of the period. 相似文献
28.
一种小波域音频信息隐藏方法 总被引:1,自引:0,他引:1
提出了一种基于量化的小波域音频隐藏算法,将保密语音隐藏到载体音频中.为提高隐藏重和保密语音传输的安全性,对保密语音进行了小波域压缩编码和m序列的扩频调制,生成待隐藏的比特序列;通过量化方法,将编码和调制后的保密语音隐藏到载体音频的小波系数中;保密语音的恢复过程不需要使用原始音频、仿真结果表明,隐藏有保密语音的载体音频听觉质量没有明显下降,提取的保密语音感知质量较好;该算法对重量化、加噪、低通滤波等攻击均有良好的鲁棒性. 相似文献
29.
Yang Dai Faquan Li Xuewu Cheng Zhiling Jiang Shunsheng Gong 《Optics & Laser Technology》2007,39(7):1374-1379
In Shack–Hartmann wavefront sensor (SHWS), the behavior of the irradiance pattern produced by the micro-lens array is important for an accurate centroid estimation. In this paper, the behavior of a micro-lens array in SHWS is analyzed using Fourier optics, and reveals that in addition to the main, expected spots, secondary spots with smaller intensities also appeared as a result of diffraction by the small dimensions of the micro-lens and interference from the different micro-lenses. This result is confirmed by comparing with a irradiance pattern taken from an actual SHWS. The additional error in centroid estimation caused by these secondary spots is discussed and relationship to the parameters of the micro-lens of SHWS is analyzed. 相似文献
30.
A parallel method for time discretization of parabolic equations based on Laplace transformation and quadrature 总被引:5,自引:0,他引:5
We consider the discretization in time of an inhomogeneous parabolicequation in a Banach space setting, using a representation ofthe solution as an integral along a smooth curve in the complexleft half-plane which, after transformation to a finite interval,is then evaluated to high accuracy by a quadrature rule. Thisreduces the problem to a finite set of elliptic equations withcomplex coefficients, which may be solved in parallel. The paperis a further development of earlier work by the authors, wherewe treated the homogeneous equation in a Hilbert space framework.Special attention is given here to the treatment of the forcingterm. The method is combined with finite-element discretizationin spatial variables. 相似文献