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351.
A. Ya. Samuilov L. A. Zenitova I. N. Bakirova Ya. D. Samuilov 《Russian Journal of Applied Chemistry》2008,81(8):1419-1422
Thermodynamic parameters of reactions of methyl and phenyl isocyanates with a series of compounds were determined by quantum-chemical calculations. The products of these reactions model for various functional groups present in commercial polyurethanes. The thermodynamic stability series for compounds formed from aliphatic and aromatic isocyanates were constructed. 相似文献
352.
353.
We present a simplified relativistic configuration interaction method (SRCI), by which all the energy levels and oscillator strengths in each transition array can be calculated. There exist generalized quasi-sum relations for the calculated oscillator strengths in the relevant transition arrays by the SRCI and by an unresolved transition array model (UTA). Based on UTA and the detailed configuration accounting (DCA), with a fully relativistic treatment incorporated with the quantum defect theory, the X-ray absorption spectra for any middle- and high-Z plasmas or composite plasmas can be calculated with much less computational efforts. The gross features of calculated spectra by DCA-UTA are in agreement with the relevant experimental measurements, except some detailed structures in some narrow spectral ranges. Such detailed structures can be calculated by SRCI incorporated with DCA-UTA. As an illustrative example, the absorption spectra of Ge plasmas are calculated by DCA-UTA-SRCI and are in agreement with the experimental opacity data. Therefore, the theoretical method (DCA-UTA-SRCI) verified by experimental measurements will not only be a basic tool to provide “precision” opacity data for the inertial confinement fusion research (ICF) and studies in stellar physics but also can be used to analyze the relevant diagnostic measurements for ICF plasmas. 相似文献
354.
The results of investigations of the rheological characteristics and electrical resistance of the suspensions of carbon black in vaseline oil under the effects of shear and vibration were presented. The investigations are carried out on an original unit that allowed one to simultaneously subject the suspensions to shear deformation and orthogonal vibration. The electrical resistance was also measured in an ac pulsed low-voltage mode. Possible mechanisms of the suspension conductivity were considered depending on the regime of dynamic action. 相似文献
355.
The melting mechanism of polymer crystals is proposed. It is assumed that the melting happens due to forming supervacancies. This mechanism leads the appearance of anisotropic phase of a melt. It is shown that two phases—anisotropic and isotropic—can exist in polymer melts. 相似文献
356.
Feel like writing a review for The Mathematical Intelligencer? You are welcome to submit an unsolicited review of a book of your choice; or, if you would welcome being assigned a book to review, please write us, telling us your expertise and your predilections. 相似文献
357.
Starting from a soliton model of SU(3) gauge fields, we investigate the behaviour of the model at finite temperature. it is found that colour confinement at zero temperature can be melted away under high temperatures. 相似文献
358.
359.
双金属催化剂是一类重要的多相催化剂。其中d电子在催化活性方面起着重要的作用.本文在Co_3[Fe(CN)_6]_2的工作基础上,进一步研究了该配合物在硅胶、氧化铝、以及氧化镁上的热性质,同时考察了CN~-在Co-Fe体系双端基配位的活化加氢,探讨了载体的影响. 相似文献
360.
Time structure of iodine laser pulse in the free running mode of operation was studied using the power amplifier of laser system PERUN as the laser oscillator. Two characteristic shapes of laser pulse correspond to different regimes of laser operation, the existence of which is ascribed to the critical concentration of I2 molecules. Simultaneously an additional chemical pumping was proved at least in the initial phase of photodissociation and in a late-time lasing after the end of flashlamps pumping light. 相似文献