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91.
Lan Z Domcke W Vallet V Sobolewski AL Mahapatra S 《The Journal of chemical physics》2005,122(22):224315
The photoinduced hydrogen elimination reaction in phenol via the conical intersections of the dissociative 1pi sigma* state with the 1pi pi* state and the electronic ground state has been investigated by time-dependent quantum wave-packet calculations. A model including three intersecting electronic potential-energy surfaces (S0, 1pi sigma*, and 1pi pi*) and two nuclear degrees of freedom (OH stretching and OH torsion) has been constructed on the basis of accurate ab initio multireference electronic-structure data. The electronic population transfer processes at the conical intersections, the branching ratio between the two dissociation channels, and their dependence on the initial vibrational levels have been investigated by photoexciting phenol from different vibrational levels of its ground electronic state. The nonadiabatic transitions between the excited states and the ground state occur on a time scale of a few tens of femtoseconds if the 1pi pi*-1pi sigma* conical intersection is directly accessible, which requires the excitation of at least one quantum of the OH stretching mode in the 1pi pi* state. It is shown that the node structure, which is imposed on the nuclear wave packet by the initial preparation as well as by the transition through the first conical intersection (1pi pi*-1pi sigma*), has a profound effect on the nonadiabatic dynamics at the second conical intersection (1pi sigma*-S0). These findings suggest that laser control of the photodissociation of phenol via IR mode-specific excitation of vibrational levels in the electronic ground state should be possible. 相似文献
92.
A new activation method has been developed for electroless copper plating on silicon wafer based on palladium chemisorption on SAMs of APTS without SnCl2 sensitization and roughening condition.A closely packed electroless copper film with strong adhesion is successfully formed by AFM observation.XPS study indicates that palladium chemisorption occurred via palladium chloride bonding to the pendant amino group of the SAMs. 相似文献
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举例说明文献"集合的粗相似度量"中定理3.1(2)的结论是不严谨的,从而给出一个严谨的结论。 相似文献
95.
In this work, the lamellar structural evolution and microvoids variations of β polypropylene(β-PP) during the processing of two different stretching methods, sequential biaxial stretching and simultaneous biaxial stretching, were investigated in detail. It was found that different stretching methods led to significantly different lamellae deformation modes, and the microporous membranes obtained from the simultaneous biaxial stretching exhibited better mechanical properties. For the sequential biaxial stretching, abundant coarse fibers originated from the tight accumulation of the lamellae parallel to the longitudinal stretching direction, whereas the lamellae perpendicular to the stretching direction were easily deformed and separated. Those coarse fibers were difficult to be separated to form micropores during the subsequent transverse stretching process, resulting in a poor micropores distribution. However, for the simultaneous biaxial stretching, the β crystal had the same deformation mode, that is, the lamellae distributed in different directions were all destroyed, forming abundant microvoids and little coarse fibers. 相似文献
96.
报道了一种准确度高、分析步骤简单的锡酸铅TDI还原型催化剂中锡和铅含量的X射线荧光光谱方法(XRF).设计制备了标准样品,研究了仪器测试条件下元素峰位的选择和背景扣除方法.结果表明:X荧光光谱法在不破坏样品的前提下完成对二氧化锡和铅含量的同时测定,重复实验10次,Pb实验相对标准偏差为0.37%;SnO2实验相对标准偏差0.61%。 相似文献
97.
利用微波辅助衍生及宏程序技术,对反兴奋剂条例的禁用列表中的一系列利尿剂药物进行了研究。建立了同时分析尿样中9种利尿剂的气相色谱-质谱联用(GC/MS)测定以及抽检尿样的初筛、确证的新方法。在GC-MS的选择离子监测(SIM)模式下,所建立定量方法的检出限为0.3~6.6μg/L;尿样中的提取回收率为37.6%~96.8%;RSD小于9.7%。由于采用了微波衍生样品前处理技术和宏程序数据处理方法,显著提高了分析效率,不但检测灵敏度完全能满足国际奥委会的要求,而且检测时间缩短3 h以上。方法成功地应用于口服吲达帕胺后尿样的检测,探讨了人尿中吲达帕胺代谢情况,有效进行兴奋剂监控提供了依据。 相似文献
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为了解决高功率激光装置光束质量诊断系统的自验证问题,研究了基于空间相位调制的径向剪切干涉法综合诊断光束质量的实验应用。该方法理论上只需一台干涉仪且从单幅干涉图中获取光束的近场、相位和远场分布信息。实验结果表明,目前可以得到高分辨率的相位分布,由测量近场和相位恢复出的远场同CCD直接测量得到的远场形态相同,环围能量比曲线相当吻合,不足之处在于只能提取近场较低空间频率成分,还达不到CCD直接测量的空间分辨水平。 相似文献