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81.
The first hyperpolarizabilities of a series of novel azulenic-barbituric acid chromophores have been studied by using 12 excitation wavelengths, ranging from 900 to 1907 nm. The dispersion relation of the first hyperpolarizabilities of chromophores holds the same tendency as the experimental results. In addition, the static first hyperpolarizability β0 of molecules was calculated by means of the Sum-Over-States (SOS) expression and the two-level formula respectively. The results show that these molecules possess large static first hyperpolarizabilities and the, β0 value increases as the donor or acceptor strength enhances; the distorted degree of molecules has also an important influence on the β0 value.  相似文献   
82.
A simple, rapid and environmental friendly method for the synthesis of biaryl compounds under microwave irradiation is reported.  相似文献   
83.
A Glaser coupling reaction of terminal alkynes in the presence of nickel chloride withoutany organics and bases in hot water has been developed, which produces the correspondinghomo-coupling products in good yields.  相似文献   
84.
An unusual reductive ring-opening reaction of phthalimide with sodium hydride in anhydrous DMF was observed for the first time. The presumed mechanism was described in detail.  相似文献   
85.
86.
在硝酸介质中,痕量铬(Ⅵ)能灵敏的催化氧化DBC褪色。研究了反应的最佳条件,建立了测定痕量铬(Ⅵ)的新方法。检出限可达10^-9g/ml,测定范围为0.12--0.7μgCrC(Ⅵ)/10ml,方法简便、灵敏、快速、准确。用于测定水中的痕量铬(Ⅵ),获得了满意的结果。  相似文献   
87.
A layer of 40nm-thick Ag-SiN film with Ag nano-particles embedded and distributed randomly in the SiN thin film were deposited by the method of radiant-frequency magnetron sputtering. Specimens orderly comprising a random Ag-SiN film and an optical phase change recording layer were exposed to a focused laser beam with wavelength of 69Ohm. It is shown that, with a random Ag-SiN layer deposited above the recording layer. Calculation by the finite difference time domain method of a 4Ohm-thick SiN film under a Gaussian beam irradiation has been carried out to simulate the near-field distribution in the film, which showed a huge local near-field intensity enhancement of about 200 times if small Ag particles with diameter of 6 nm were modelled inthe SiN film in the central region of the in cident laser spot.  相似文献   
88.
89.
We study paramagnetic Mn^2 ions present in the nowadays shells of univalve freshwater snails of Pomacea canaliculata lamarck (PCL) and the fossilized freshwater snail (FFS), Viviparus. All these shells are abundant in Thailand. The PCL shells were ground into fine powder. A set of seven samples were then separately annealed for 2 h in air atmosphere at different annealing temperatures while the FFS powder was characterized as-received. The PCL shells mainly consist of aragonite and a fraction of calcite. The heat treatments of the PCL powder samples at temperature higher than 450℃ resulted in an irreversible phase transformation from aragonite to calcite. However, it is found that the FFS shell is mainly made of calcite, with a minor fraction of aragonite. The crystal structure of the high-temperature-annealed PCL samples are quite similar to that of FFS, which indicates that the metamorphosis (aragonite→calcite) in the FFS shell had occurred but was not yet completed, although it had remained under the pressure and temperature of the Earth‘s crusts over millions of years. Our detailed ESR spectral analyses of PCL and FFS show that Mn^2 ions enter the Ca^2 sites during a biomineralization process. Simulated ESR parameters of PCL-500 of Mn^2 at a uniaxial site of calcite are reported. It is surprising to And that the ratio of Mn^2 concentration present in FFS to those in PCL shells evaluated from ESR spectra is as much as 10:1.  相似文献   
90.
模拟纳米晶体原子分布及X射线散射理论图案   总被引:11,自引:0,他引:11       下载免费PDF全文
常明  孙伟  邢金华  王煜明 《物理学报》1997,46(7):1319-1325
通过分子动力学方法模拟纳米晶体(1—3nm)的结构.利用模拟的结果,进行了X射线衍射及径向分布函数的模拟计算.结果表明:纳米晶体晶界呈短程有序,界面原子间距分布很宽;随着晶粒尺寸的减小,晶粒的畸变越大,原子体积常数也明显增大 关键词:  相似文献   
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