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71.
A tetrapeptide has been studied by means of NMR of 13C in natural abundance. By the combined application of various two-dimensional 1H/1H and 13C/1H correlation techniques, the primary structure of the peptides could be unambiguously determined. 相似文献
72.
Zhiwei Sun Peter J. Reynolds R. Kent Owen William A. Lester Jr. 《Theoretical chemistry accounts》1989,75(5):353-368
A study is made of electron-electron correlation functions for use in trial wave functions for small molecules. New forms are proposed that have only a few variational parameters, and these parameters have physical meanings that are easily discerned. Total energies for H2, LiH and Li2 computed using these correlation functions are presented, and comparison is made with previous forms, including the Jastrow-Pade form often used in Monte Carlo studies. We further treat the possibility that correlation depends not only on the separation of a pair of electrons but also on the location of the electron pair relative to the nuclei — indicative of a density-dependent or many body correlation effect. Our results indicate that such a many-body correlation effect is weakly present.This work was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy under Contract No. DE-AC03-76SF00098 相似文献
73.
Used digital speckle correlation method (DSCM) to realize orientation function of optical mouse is researched. The experiment is designed to obtain the dynamic speckle patterns which are shot by CCD, then the DSCM is used to process the sequential images and also the experiment is simulated. The experimental results show the DSCM can confirm orientation function of the optical mouse, and have a good agreement with the simulation results, and the resolution we obtained is higher than the resolution of mouse on the market. 相似文献
74.
A stationary random field is often more complicated than a univariate stationary time series, since dependence for a random field extends in all directions, while there is only the natural distinction of past and future at any instant in a univariate time series. In this paper we start from a simple correlation structure, derive a class of stationary random fields with the simple correlation function and the simple spectral density function by using linear combinations of separable spatial correlation functions, and discuss a problem of embedding a lattice model into a continuous domain model. 相似文献
75.
本文导出了聚合物为链段运动时,侧基进行非等价二位置和三位置跃迁内旋转、随机自由扩散内旋转以及受阻内旋转时的NMR弛豫相关函数,同时给出了相应的谱密度函数,并讨论了两个应用实例。 相似文献
76.
Blast is one of the most devastating fungal diseases of rice caused by Magnaporthe oryzae. Plant essential oil (EO) can function as antifungal agents and are regarded as a safe and acceptable method for plant disease control. However, EOs are unstable and hydrophobic, which limits its use. In the present study, we aimed for the preparation and characterization of a nanoemulsion (NE) from green tea essential oil (GTO) by ultrasonication method and determined the antifungal activity of NE on M. oryzae. The particle size and zeta potential of the NE were 86.98 nm and −15.1 mV, respectively. The chemical composition and functional groups of GTO and NE were studied by using GC–MS analysis, portable Raman spectroscopy, and FTIR coupled with chemometric analysis. GC–MS analysis showed the major components in GTO and NE were n-Hexyl cinnamaldehyde and L-α-Terpineol. Both GTO and NE showed good antioxidant activity and total phenol content. Moreover, the NE showed good antifungal activity against M. oryzae which was further confirmed by scanning electron microscopy (SEM) examination. Also, confocal Raman micro-spectroscopy (CRM) revealed the antifungal mechanism of GTO and NE on M. oryzae which proves the cell damage. To the best of our knowledge, this is the first study on the antifungal activity of GTO and NE against M. oryzae and also the use of CRM for the evaluation of the chemical changes in single fungal hyphae in a holistic approach. This study suggests that the prepared NE could be a potential candidate for use as a substitute for synthetic fungicides. 相似文献
77.
Experimental liquid–liquid equilibrium (LLE) of the water–acetic acid–sec-butyl acetate ternary system was investigated at 298.15, 303.15, 308.15 and 313.15 K and at atmospheric pressure. Separation factors were also evaluated for the immiscibility region. The NRTL and UNIQUAC models were applied to fit the experimental data for the ternary system. The binary interaction parameters obtained from both models were found to be successfully correlated with the equilibrium compositions. The UNIFAC group contribution method was employed to predict the observed ternary LLE data. It was found that four types of the UNIFAC model (UNIFAC, UNIFAC-LL, UNIFAC-DMD, and UNIFAC-LBY) did not provide a good prediction of the LLE data for this ternary system. 相似文献
78.
79.
By expanding the Debye theory into the tight focusing of partially coherent field, the intensity and spatial correlation properties of partially coherent radially polarized vortex beams are studied. Expressions are derived for the intensity distribution and the spectral degree of coherence in the focal region. It is found that the intensity and the transverse and longitudinal coherence degrees in the focal region change with the variation of the topological charge and coherence length of the vortex beam. In addition, the degree of coherence is shown to exhibit phase singularities. 相似文献
80.
We show how the spontaneous emission rate of an excited two-level atom placed in a trapped Bose-Einstein condensate of ground-state atoms is enhanced by bosonic stimulation. This stimulation depends on the overlap of the excited matter-wave packet with the macroscopically occupied condensate wave function, and provides a probe of the spatial coherence of the Bose gas. The effect can be used to amplify the distance-dependent decay rate of an excited atom near an interface. 相似文献