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71.
72.
Carlos E. Alciaturi Thais Montero Carlos De La Cruz Marcos E. Escobar 《Analytica chimica acta》1997,340(1-3):233-240
Reduction of the representation of infrared spectra from coal samples by osculating polynomials of degree nine is discussed. The reduced representation contains polynomial coefficients of order zero to four. Mathematical models of the original spectra are obtained by linear combination of the coefficients. These compressed models are statistically correlated to coal properties, namely, volatile matter, fixed carbon, ash content, heating value, hydrogen, carbon, sulphur, nitrogen, and maximum vitrinite reflectance, and the results are compared with those previously obtained from second derivatives of the same spectra. The use of compressed data, while giving slightly better correlations for some of the properties, has the advantage of requiring less computational time. 相似文献
73.
Eric Gifford Mark Johnson Chun-che Tsai 《Journal of computer-aided molecular design》1991,5(4):303-322
Summary The metabolic pathways of medazepam, oxazepam, and diazepam were modeled using graph-theoretic transforms which are incorporable into computer-assisted metabolic analysis programs. The information, represented in the form of a graph-theoretic transform kit, which was obtained from these pathways was then used to predict the metabolites of other benzodiazepine compounds. The transform kits gave statistically significant predictions with respect to a statistical method for evaluating the performance of the transform kits. 相似文献
74.
A diagnostic study q (energy transfer processes in a He-N2 flowing discharge and afterglow has been performed in a radiofrequency-produced plasma cooled in a liquid nitrogen hath. Optical emission spectroscopy in the visible and infrared spectral range as well as Langrnuir probe diagnostics were used. The vibrational kinetics of CO injected in such an afterglow has been examined. It shows a slow cooling of the electrons in the afterglow regime. The electron kinetics responsible joy CO vibrahonal excitation is turned off when N2 is added to the He discharge, while that for vibrationally excited N2 molecules is turned on. The results are discussed on the basis of previous theorerical calculations and experiments on the He-N2 system. 相似文献
75.
76.
Quantum Monte Carlo techniques often suffer from the so-called minus-sign problem. This paper explores a possibility to circumvent this fundamental problem by combining the Projector Quantum Monte Carlo method with the variational principle. Results are presented for the two-dimensional Hubbard model. 相似文献
77.
Paolo De Lucia J. D. Maitland Wright 《Rendiconti del Circolo Matematico di Palermo》1991,40(3):442-452
Dopo aver dato una definizione di parte convessa di un gruppo topologico, si stabilisce una condizione affinchè il condominio
di una misura sia convesso. 相似文献
78.
79.
M. H. Gehlen M. Van der Auweraer F. C. De Schrwer 《Photochemistry and photobiology》1991,54(4):613-618
The luminescence decay of excited probes in micelles in the presence of a Poisson distribution of quenchers is considered under conditions where both probe and quencher within the lifetime of the excited probe may exchange between the micelles. Analytical and numerical results show that the luminescence decay can be expressed by a generalized self convolution product of a multiexponential decay function. 相似文献
80.
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