排序方式: 共有21条查询结果,搜索用时 15 毫秒
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P. Bischof R. Gleiter M.J. Kukla L.A. Paquette 《Journal of Electron Spectroscopy and Related Phenomena》1974,4(3):177-184
The photoelectron spectra of tricyclo[3.3.0.02,6]octene (1) and tricyclo[3.3.0.02,6]octane (2) have been recorded. The first bands in these spectra are correlated with orbitals which are linear combinations of the Walsh orbitals and of the olefinic π-orbital. This assignment is based on a zero differential overlap molecular orbital model as well as on the results of extended Hückel calculations. The resonance integral <π|H|W > for 1 is found to be ?1.34 eV. 相似文献
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The solution and solid state conformation of (S)-4,5,6,7-tetrahydro-5-methylimidazo [4,5,1-jk][1,4]-benzodiazepin-2(1H)-one (R78362) have been investigated by low temperature NMR and x-ray diffraction studies. The 1H NMR spectrum of R78362 shows no evidence of the presence of multiple conformers in the temperature range 340K - 177K. Molecular mechanisms and semiempirical molecular orbital calculations suggest that the nitrogen and ring inversion barriers of R78362 are small and thus a time-averaged 1H NMR spectrum is probably occurring at 298K. The x-ray diffraction data indicated that there were two independent molecules in the asymmetric unit of the crystal. The two molecules had similar conformations with the benzoimidazole ring being planar and the diazepine ring in a “half-chair” conformation. 相似文献
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O. Yu. Posudievskii N. V. Konoshchuk A. L. Kukla A. S. Pavlyuchenko G. V. Linyuchev V. D. Pokhodenko 《Theoretical and Experimental Chemistry》2006,42(6):339-345
The effect of the nature of the dopant on the response of a sensor array based on films of poly(3-methylthiophene) under the
influence of various organic solvents was studied. It was established that the electroconductivity of the polymer can both
increase and decrease under the influence of the analytes. It was suggested that the main factors determining the magnitude
of the response of poly(3-methylthiophene) are the ratio of the number of radical-cationic and dicationic states in the polymer,
which depends on the nature of the dopant-anion, and also the polarity of the analyte. It was shown that the polymer has high
sensitivity to chloroform vapor, which makes sensor arrays based on poly(3-methylthiophene) selective with respect to this
analyte.
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Translated from Teoreticheskaya i éksperimental’naya Khimiya, Vol. 42, No. 6, pp. 331–338, November–December, 2006. 相似文献
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Stanisław Kukla Urszula Siedlecka 《Mathematical Methods in the Applied Sciences》2020,43(7):4883-4894
In this paper, a solution to initial value problems for fractional-order linear commensurate multi-term differential equations with Caputo derivatives is presented. The solution is obtained in the form of a finite sum of the Mittag-Leffler–type functions and the meta-trigonometric cosine function by using a numerical-analytical method. The results of presented numerical experiments show that for high accuracy calculations of these functions, the multi-precision arithmetic must be applied. The approach for solving of the initial value problems for generalized Basset equation, generalized Bagley-Torvik equation, and multi-term fractional equation is demonstrated. 相似文献
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Michael J. Kukla 《Tetrahedron letters》1982,23(44):4539-4540
Reexamination of the reported (1) synthesis of β-ketosulfoxides from acid chlorides and reagent revealed that the products formed were actually methylthiomethyl esters (). 相似文献