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71.
S. A. Kirillov A. Morresi M. Paolantoni P. Sassi 《Journal of Physical Organic Chemistry》2007,20(8):568-573
The most obvious consequence of the concept of aromaticity is the common confidence that in aromatic compounds, bond lengths do not alternate and are between typical to the single and double ones. However, in 1994, performing crystal structure investigations of substituted pyridines and their salts, Krygowski and co‐workers have discovered a very surprising angular group induced bond alteration (AGIBA) effect: It appears that some angular substituents, like methoxy or nitrozo groups, can induce bond alternation in aromatic rings. Crystal studies do not allow one to operate with liquids that are more common in organic chemistry. This paper presents the first possible evidence of spectroscopic manifestations of the AGIBA effect. Raman spectra of the liquid toluene are analyzed. It is found that instead of being single, the line corresponding to the ring breathing vibrations is clearly split by 1.0–1.4 cm?1, thus indicating the presence of two (cis‐ and trans‐) AGIBA isomers. The energy difference between these isomers estimated in temperature dependent Raman studies is found equal to 6.68 kJ mol?1. The low‐wavenumber line therefore corresponds to the cis‐AGIBA isomer and the high‐wavenumber line to the trans‐AGIBA isomer stabilized by the AGIBA effect. Copyright © 2007 John Wiley & Sons, Ltd. 相似文献
72.
This paper proposes a method for estimation of a class of partially linear single-index models with randomly censored samples. The method provides a flexible way for modelling the association between a response and a set of predictor variables when the response variable is randomly censored. It presents a technique for “dimension reduction” in semiparametric censored regression models and generalizes the existing accelerated failure-time models for survival analysis. The estimation procedure involves three stages: first, transform the censored data into synthetic data or pseudo-responses unbiasedly; second, obtain quasi-likelihood estimates of the regression coefficients in both linear and single-index components by an iteratively algorithm; finally, estimate the unknown nonparametric regression function using techniques for univariate censored nonparametric regression. The estimators for the regression coefficients are shown to be jointly root-n consistent and asymptotically normal. In addition, the estimator for the unknown regression function is a local linear kernel regression estimator and can be estimated with the same efficiency as all the parameters are known. Monte Carlo simulations are conducted to illustrate the proposed methodology. 相似文献
73.
A. E. Chmel’ 《Journal of Applied Spectroscopy》1997,64(4):566-568
Using Raman spectroscopy, a quantitative analysis of the distribution of OH− ions on the boundary between a bearing pipe and a glass layer deposited from chlorides in billets for quartz fiber light
guides is carried out. Water penetrated into the light-reflecting shell to a depth of several tenths of a millimeter, depending
on the composition of the doping layer (i.e., ultimately on the temperature of the depsoition process).
A. F. Ioffe Physical-Technical Institute, Academy of Sciences of Russia, 26, Politekhnicheskaya St., St. Petersburg, 194021,
Russia. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 64, No. 4, pp. 548–550, July–August, 1997. 相似文献
74.
转动喇曼散射截面的群论计算 总被引:1,自引:1,他引:0
本文利用群链U(4)U(3)O(3)描述双原子分子N_2和O_2振转谱的对称性质,并利用群论方法计算了N_2和O_2分子转动喇曼散射的跃迁矩阵元,给出了它们的转动喇曼散射的截面。结果与实验较好地符合。 相似文献
75.
J. A. Morrison 《Queueing Systems》1991,9(1-2):191-213
In this paper the steady-state behavior of a closed queueing network with multiple classes and large populations is investigated. One of the two nodes of the network simply introduces random delays and the discipline in the other node is discriminatory processor sharing. The network is not product-form, so not even the steady-state behavior is known. We assume that the usage is moderately heavy, and obtain two-term asymptotic approximations to the mean number of jobs, and the mean sojourn time, of each class of jobs in the processor node. We also obtain the leading term in the asymptotic approximation to the joint distribution of the number of jobs in the processor node, which is a zero-mean multivariate Gaussian distribution around a line through the origin. 相似文献
76.
This paper seeks to solve the difficult nonlinear problem in financial markets on the complex system theory and the nonlinear
dynamics principle, with the data-model-concept-practice issue-oriented reconstruction of the phase space by the high frequency
trade data. In theory, we have achieved the differentiable manifold geometry configuration, discovered the Yang-Mills functional
in financial markets, obtained a meaningful conserved quantity through corresponding space-time non-Abel localization gauge
symmetry transformation, and derived the financial solitons, which shows that there is a strict symmetry between manifold
fiber bundle and guage field in financial markets. In practical applications of financial markets, we have repeatedly carried
out experimental tests in a fluctuant evolvement, directly simulating and validating the existence of solitons by researching
the price fluctuations (society phenomena) using the same methods and criterion as in natural science and in actual trade
to test the stock Guangzhou Proprietary and the futures Fuel Oil in China. The results demonstrate that the financial solitons
discovered indicates that there is a kind of new substance and form of energy existing in financial trade markets, which likely
indicates a new science paradigm in the economy and society domains beyond physics.
相似文献
77.
Exterior tomographic data are taken over lines outside a central region, and such data occur in the industrial nondestructive evaluation of large objects such as rockets. We explain, using microlocal analysis, which singularities are well reconstructed from exterior data, and we explain how this phenomenon is reflected in the singular value decomposition for the exterior transform [E.T. Quinto, Singular value decompositions and inversion methods for the exterior Radon transform and a spherical transform, J. Math. Anal. Appl. 95 (1983) 437–448]. We extend Lambda Tomography to exterior data and to limited angle exterior data. The algorithm is tested on industrial data from Perceptics, Inc. 相似文献
78.
The excess molar enthalpy of ternary mixture for 3-diethylaminopropylamine+heptane+cyclohexane were measured using a Calvet
microcalorimeter at 303.15 K.
Empirical equations, Redlich-Kister, Tsao-Smith, and Kohler and group contribution models, UNIFAC (modified version) and DISQUAC
have been applied. A reasonable representation of ternary data is obtained.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
79.
80.
We consider goodness of fit tests for the Rayleigh distribution with grouped data. New Kolmogrov–Smirnov type tests are suggested and compared with the traditional chi-square and likelihood ratio tests. The results show that some of the suggested tests have a good power performance as compared with the traditional ones. 相似文献