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321.
研究了利用电感耦合等离子体质谱仪测定无尘产品中的痕量杂质元素氯含量的方法,检测下限0.06 ng/mL,精密度RSD<5%(n=7),回收率93.7%~110.0%。 相似文献
322.
A straightforward discussion on how to generate molecular fields is developed within the postulates of quantum mechanics. The theoretical formalism points towards the generalization and extension of the well-known molecular field forms, associated to density function and electrostatic molecular potential (EMP), including another category of fields associated to quantum molecular similarity measures. The results show that the new formalism can be easily applied to obtain an unlimited number of new information about molecular behavior. 相似文献
323.
J. Voll T. Kerscher D. Geppert R. de Vivie-Riedle 《Journal of photochemistry and photobiology. A, Chemistry》2007,190(2-3):352-358
The technological needs imposed by the exponential miniaturization trend of conventional electronic devices has drawn attention towards the development of smaller and faster devices like ultrafast molecular switches. In recent years molecular switches emerge again in the focus of active and innovative research with state-of-the-art optical tools recording their dynamics in real time. Still many questions about the underlying microscopic mechanism are left open, including potential factors that effect the switching process in either way, improve or worsen it. Due to the complexity of such molecules it is difficult to obtain a global answer from experiment alone. On the other side molecular switches are generally too large for a complete quantum chemical and quantum dynamical calculation. In our group we therefore developed an ab initio based modular model to handle the laser induced quantum dynamics in molecular switches like fulgides. It enables us to study the effect of internal molecular coupling and of the molecular response to external fields. We can investigate the related wave packet dynamics, the switching efficiency and the controllability. Our results focus on the laser induced ring opening in fulgides, which equals one direction of the switching process. Presented are the influence of a conical intersection seam and of time-dependent potentials, mimicking the mean interaction with the environment. Furthermore the relation of controllability and the wave packet's momentum is studied and the influence of potential barriers on the switching dynamics is shown. 相似文献
324.
用比较法测得23种啶类衍生物的荧光量子效率(Φf),以评估这些化合物的荧光性质,结果表明,N-烃基吖啶酮类化合物的荧光量子效率要比9-取代苯基吖啶类和9-取代苯亚甲基-10-甲基-9,10-二氢吖啶类化合物的荧光量子效率大,在非极性溶剂中,9-聚代苯亚甲基-9,10二氢吖啶分子内的强吸电子基NO2增强荧光量子效率,强推电子基OCH3降低荧光量子效率,这些测量结果与取代基的电子作用经验规律不相符,这种现象可以用分子内电荷转移理论进行解释。 相似文献
325.
Joanna Gajewiak 《Tetrahedron letters》2006,47(43):7607-7609
Lysophosphatidic acid (LPA) and phosphatidic acid (PA) are potent bioactive lipid mediators of signal transduction and are inactivated by phosphatases. To obtain receptor-isoform selective ligands with neutral phosphomimetic head groups, we performed the stereoselective synthesis of LPA and PA analogues with trifluoromethanesulfonamide and trifluoromethanesulfonamidoxy moieties replacing the phosphomonoester. 相似文献
326.
A microwave-assisted digestion procedure using HNO3, HF, and H2O2 has been developed for analysis of elements in ambient particulate matter (PM). The samples are collected on cellulose filters and analyzed by inductively coupled plasma mass spectrometry (ICP-MS). The ICP-MS is calibrated with external standards, and recovery of analytes is tested with NIST SRM 1648 Urban Dust. This method has been used to quantify the airborne concentrations of a large number of elements, including Ag, As, Ba, Be, Ca, Cd, Ce, Co, Cr, Cs, Cu, Fe, Ga, K, Li, Mg, Mn, Mo, Ni, Pb, Rb, Se, Sb, Sr, Ti, Tl, V, and Zn. For the majority of these elements, recovery of the NIST SRM is within 15% of the certified values. 相似文献
327.
Solid-state 2H NMR spectroscopy is a well-established and versatile method to study molecular orientation and dynamics in selectively deuterated samples. Herein, we introduce a 2D 2H double-quantum (DQ) NMR experiment performed under fast magic-angle spinning with a slight offset of the magic angle (OMAS). The experiment combines 2H chemical-shift resolution with DQ-filtered quasistatic 2H line shapes. In this way, it is possible to separate 2H resonances and to independently determine 2H quadrupole couplings at multiple sites. While 2H chemical shifts are resolved in the 2H DQ dimension, the quadrupole parameters can be obtained from characteristic line shapes which are reintroduced in the second dimension by the magic-angle offset. The 2D 2H DQ OMAS experiment is demonstrated on L-histidine which was deuterated at multiple sites by recrystallisation from D2O. 相似文献
328.
Stephan Alexander Baeurle 《Journal of mathematical chemistry》2003,34(1-2):29-38
The development of theoretical tools for the study of dynamical phenomena of many-particle systems on the quantum level is a fundamental challenge since many decades. A lot of efforts have been invested on Feynman's path integral approach, however, no computationally tractable method for investigating realistic systems could be developed up to now. In this paper we propose an alternative representation of the real-time many-body evolution operator formulated within the framework of the auxiliary field formalism. Our goal is to derive a new auxiliary field functional integral representation, in which the large oscillations of the functional integrand are reduced, in order to render the auxiliary field approach more attractive for real-time computation. This objective is attained using a generalized version of the method of Gaussian equivalent representation of Efimov and Ganbold [Phys. Stat. Sol. 168 (1991) 165], which eliminates the low-order fluctuations of the auxiliary field from the interaction functional. 相似文献
329.
马晓国 《广东微量元素科学》1998,5(12):57-58
用电感耦合等离子体原子发射光谱法(ICP-AES0测定了玩具材料中的痕量砷,硒和锑。方法简便快速,回收率为97.5%-102.7%,相对标准偏差小于3%。 相似文献
330.
本文利用电感耦合等离子体原子发射光谱(ICP-AES)多色仪的扫描功能,用C语言编制了Kalman滤波程度软件包,用该软件包对铁基体中26种痕量元素进行了回收率试验,并对标准碳素钢样中13种痕量元素进行了测定,结果表明Kalman滤波完全适用于复杂谱线基体中的多种元素同时分析。 相似文献