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91.
92.
Multi-reference configuration-interaction calculations on multiply charged ions of carbon monosulfide 下载免费PDF全文
The potential energy curves for neutrals and multiply charged ions of carbon monosulfide are computed with highly correlated multi-reference configuration interaction wavefunctions.The correlations of inner-shell electrons with the scalar relativistic effects are included in the present computations.The spectroscopic constants,dissociation energies,ionization energies for ground and low-lying excited states together with corresponding electronic configurations of ions are obtained,and a good agreement between the present work and existing experiments is found.No theoretical evidence is found for the adiabatically stable CSq+(q>2) ions according to the present ab initio calculations.The calculated values for 1st-6th ionization energies are 11.25,32.66,64.82,106.25,159.75,and 224.64 eV,respectively.The kinetic energy release data of fragments are provided by the present work for further experimental comparisons. 相似文献
93.
光学-光学双共振激发K2到91∑+g高位态,研究了K2(91∑+g)与H2的电子-振转碰撞能量转移。利用相干反斯托克斯(CARS)光谱技术探测H2的振转态分布,扫描CARS谱表明H2在(1,1)、(2,1)、(2,2)、(3,1)、(3,2)、(3,3)和(3,5)能级上有布居。由时间分辨CARS轮廓得到H2各振转能级上粒子数之比,得到H2的平均振动能和平均转动能分别为9063cm-1和388cm-1。从91∑+g→11∑+u、11∑+u→11∑+g、33∏g→13∑+u跃迁的时间分辨激光感应荧光(LIF)强度得到它们的自发辐射率和碰撞转移率。在H2压强为3×103Pa时,K2(91∑+g)与H2的碰撞转移能为16930cm-1。H2的平均振转能占平均转移能的56%。 相似文献
94.
Ruta Pribuisiene Virgilijus Uloza Limas Kupcinskas Laimas Jonaitis 《Journal of voice》2006,20(1):128-136
The aim of the study was to outline the multidimensional perceptual, subjective, and instrumental acoustic voice changes in the group of reflux laryngitis (RL) patients. Data of multidimensional voice assessment of 108 RL patients and 90 healthy persons of the control group were subjected to comparative analysis. A slight hoarseness according to the GRB (G-grade, R- rough, B-breathy) scale was prevailing in the RL patients group. Statistically significant difference (P < 0.001) between RL patients group and the control group was found of all voice parameters measured, with the patients having worse results--increased mean jitter, shimmer, normalized noise energy, voice handicap index (VHI), and decreased parameters of phonetogram. The results of the study demonstrated that multidimensional voice assessment documented deteriorated voice quality and restricted phonation capabilities in the tested group of RL patients. 相似文献
95.
An ultra-high vacuum(UHV) compatible electron spectrometer employing a double toroidal analyzer has been developed. It is designed to be combined with a custom-made scanning tunneling microscope(STM) to study the spatially localized electron energy spectrum on a surface. A tip–sample system composed of a piezo-driven field-emission tungsten tip and a sample of highly ordered pyrolytic graphite(HOPG) is employed to test the performance of the spectrometer.Two-dimensional images of the energy-resolved and angle-dispersed electrons backscattered from the surface of HOPG are obtained, the performance is optimized and the spectrometer is calibrated. A complete electron energy loss spectrum covering the elastic peak to the secondary electron peaks for the HOPG surface, acquired at a tip voltage of-140 V and a sample current of 0.5 pA, is presented, demonstrating the viability of the spectrometer. 相似文献
96.
Mingshu Chen 《Surface science》2006,600(19):L255
In this letter, atomically resolved scanning tunneling microscopic (STM) images obtained from monolayer SiO2/Mo(1 1 2) are presented. The results are consistent with a previously proposed structural model of isolated [SiO4] units based on vibrational features observed by high-resolution electron energy loss spectroscopy (HREELS) and infrared reflection-absorption spectroscopy (IRAS), and oxygen species identified by ultra-violet photoemission spectroscopy (UPS). These results are inconsistent with a structural model that assumes a two-dimensional (2-D) [Si-O-Si] network. These data illustrate that a metal substrate, although coated with an oxide thin layer, can be directly imaged at the atomic-scale with STM. 相似文献
97.
X.S. Cai 《Applied Surface Science》2006,252(8):2776-2781
SiGe/Si quantum wells (QWs) with different Boron doping concentrations were grown by molecular beam epitaxy (MBE) on p-type Si(1 0 0) substrate. The activation energies of the heavily holes in ground states of QWs, which correspond to the energy differences between the heavy hole ground states and Si valence band, were measured by admittance spectroscopy. It is found that the activation energy in a heavily doped QW increases with doping concentration, which can be understood by the band alignment changes due to the doping in the QWs. Also, it is found that the activation energy in a QW with a doping concentration of 2 × 1020 cm−3 becomes larger after annealing at a temperature of 685 °C, which is attributed to more Boron atoms activation in the QW by annealing. 相似文献
98.
X. Yang 《Applied Surface Science》2006,252(10):3647-3657
The room-temperature adsorption and thermally induced processes of propionic acid and pyruvic acid on Ni(1 0 0) have been investigated by electron energy loss spectroscopy (EELS). Computational vibrational analysis of the optimized bidentate structures for acid-Ni model complexes (involving the organic acid and a Ni atom) has been performed by using the two-layer ONIOM method with the Density Functional Theory and used to interpret the vibrational EELS data. Dehydrogenation of the hydroxyl group is found to result in bonding of the carboxylate group in the propionate and pyruvate adspecies to either a single Ni surface atom in a bidentate configuration or two neighbouring Ni atoms in a bridge configuration. Given the similarities in the total energies and related vibrational frequencies obtained by the calculations in the case of pyruvate adspecies, it is difficult to differentiate the alternate adsorption structure, in which the keto O and hydroxyl O atoms are bonded to a Ni atom in a five-member chelate ring configuration. Furthermore, temperature-dependent EELS studies show that both the propionate and pyruvate adspecies could decompose upon annealing to above 400 K and further dissociate to CO adspecies above 550 K and to C and/or O above 600 K. 相似文献
99.
利用一套罗斯滤片系统测量激光轰击固体金属Ti平面靶产生的X射线辐射通量,系统包括两个相同的X射线探测器及相应滤膜。罗斯滤片法的优点在于利用相邻核素对X射线相似的阻止率,可滤出一个窄的能带并去除高能部分的干扰,获得了Ti平面靶K壳层X光辐射产额。实验结果表明:硬X射线能段在4.5~4.9keV之间的K壳特征辐射占优,连续谱所占份额较低(与晶体谱仪一致);随着激光能量的增加,特征辐射增加;激光强度接近2×1015 W/cm2时,能量转换效率出现峰值。 相似文献
100.
Highly oriented pyrolytic graphites are irradiated with 40.5-Me V and 67.7-Me V ^112Sn-ions in a wide range of fluences: 1×10^11 ions/cm^2–1×10^14ions/cm^2. Raman spectra in the region between 1200 cm^-1 and 3500cm^-1 show that the disorder induced by Sn-ions increases with ion fluence increasing. However, for the same fluence, the amount of disorder is greater for 40.5-Me V Sn-ions than that observed for 67.7-Me V Sn-ions, even though the latter has a slightly higher value for electronic energy loss. This is explained by the ion velocity effect. Importantly, ~ 3-cm^-1frequency shift toward lower wavenumber for the D band and ~ 6-cm^-1 shift toward lower wavenumber for the 2D band are observed at a fluence of 1×10^14 ions/cm^2, which is consistent with the scenario of radiation-induced strain. The strain formation is interpreted in the context of inelastic thermal spike model, and the change of the 2D band shape at high ion fluence is explained by the accumulation of stacking faults of the graphene layers activated by radiation-induced strain around ion tracks. Moreover,the hexagonal structure around the ion tracks is observed by scanning tunneling microscopy, which confirms that the strains near the ion tracks locally cause electronic decoupling of neighboring graphene layers. 相似文献