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The cocrystal of 1,2-bis(diphenylphosphinoyl)ethane (DPPEO) with phenol (1:1) were studied theoretically with AM1, PM3, MNDO and MINDO/3 semi-empirical methods to elucidate its structure. The bond lengths and angles from theoretical studies of molecule DPPEO/phenol (1:1) were found to be as expected. Theoretical results, concerning with intermolecular van der Waals forces in cocrystal, were compared with the previously obtained experimental data and AM1 results were found to be the best fit for bond lengths and angles of DPPEO/phenol. 相似文献
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The present paper reports the dislocation unpinning model of acoustic emission (AE) from alkali halide crystals. Equations
are derived for the strain dependence of the transient AE pulse rate, peak value of the AE pulse rate and the total number
of AE pulse emitted. It is found that the AE pulse rate should be maximum for a particular strain of the crystals. The peak
value of the AE pulse rate should depend on the volume and strain rate of the crystals, and also on the pinning time of dislocations.
Since the pinning time of dislocations decreases with increasing strain rate, the AE pulse rate should be weakly dependent
on the strain rate of the crystals. The total number of AE should increase linearly with deformation and then it should attain
a saturation value for the large deformation. By measuring the strain dependence of the AE pulse rate at a fixed strain rate,
the time constantτ
s for surface annihilation of dislocations and the pinning timeτ
p of the dislocations can be determined. A good agreement is found between the theoretical and experimental results related
to the AE from alkali halide crystals. 相似文献
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B. V. Derjaguin 《Progress in Surface Science》1992,40(1-4):240-251
A review is presented about research on surface forces and surface interactions conducted over the past half-century, with some emphasis on the pioneering contributions of the Department of Surface Phenomena at the Institute of Physical Chemistry of the USSR Academy of Sciences. 相似文献
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The purpose of the present study was to describe the effects ofacute laryngitis on some aerodynamic, acoustic, and perceptual measures. Eleven subjects with diagnosed acute laryngitis due to upper respiratory infection were recorded during a laryngitic episode and 1 week to 10 days after amelioration of the laryngitic condition. Fundamental frequency values, collapsed across the five vowels, were significantly reduced in the laryngitic compared with the normal speaking condition. The decrease in fundamental frequency associated with acute laryngitis suggests an increase in the mass of the vocal folds. In addition, aerodynamic values differed significantly for the laryngitic condition compared with the normal speaking condition, suggesting the presence of laryngeal hypofunction. Perceptual data indicated that speakers in the laryngitic condition were judged to have a hoarse voice when compared with the normal speaking condition. 相似文献