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排序方式: 共有142条查询结果,搜索用时 171 毫秒
1.
在G2 (CC ,MP2 )理论水平上研究了C2 (a3 Πu)自由基与NO分子的反应 .计算了反应体系最低二重态势能面上各驻点的构型参数、振动频率和能量 ,揭示了此反应存在两种反应机理 :由NO中的O原子进攻C2 自由基形成CCON中间体的CCON机理和NO中的N进攻C2 自由基形成CCNO中间体的CCNO机理 ,分析了对应与这两种反应机理的五个可能的反应通道 ,得出了由NO中的N原子进攻3 C2 自由基 ,生成中间体CCNO自由基 ,最终得到产物CN +CO的通道是最有利的通道 . 相似文献
2.
Xie Zhijian Tan Qiulin 《International Journal of Infrared and Millimeter Waves》2006,27(12):1639-1649
To counter the problems of gas accidents in coal mines, family safety resulted from using gas, a new infrared detection system
with integration and miniaturization has been developed. The infrared detection optics principle used in developing this system
is mainly analyzed. The idea that multi gas detection is introduced and guided through analyzing single gas detection is got
across. Through researching the design of cell structure, the cell with integration and miniaturization has been devised.
The way of data transmission on Controller Area Network (CAN) bus is explained. By taking Single-Chip Microcomputer (SCM)
as intelligence handling, the functional block diagram of gas detection system is designed with its hardware and software
system analyzed and devised. This system designed has reached the technology requirement of lower power consumption, mini-volume,
big measure range, and able to realize multi-gas detection. 相似文献
3.
Based on the investigation of a non-ionic surfactant-salt-H2O liquid-liquid extraction system, general rules concerning salt selection are concluded and the mechanism of phase separation is explained. The extraction behavior of chlorpromazine hydrochloride (CPZ) and procaine hydrochloride (PCN) in such a system is studied. Research shows that the extraction efficiency of CPZ can amount to 96% by twice extraction, which means that quantitative extraction is realized, while that of PCN is 77%. This system produces distribution coefficients (KD) of 12.3 and 2.6, respectively, for CPZ and PCN. Extraction mechanism is deduced according to ultraviolet absorbance; and molecular fluorescence spectra change of the drugs in the system studied. 相似文献
4.
Liquid-liquid Extraction System Based on Non-ionic Surfactant-salt-H_2O and Mechanism of Drug Extraction 总被引:1,自引:0,他引:1
Lei LI Feng LIU* Xiang Xu KONG Shun SU Ke An LI College of Chemistry Molecular Engineering Peking University Beijing Department of Chemistry Gannan Teachers College Ganzhou 《中国化学快报》2002,13(4)
The utilization of solid-liquid extraction system based on polymer-(NH4)2SO4 -H2O on separation of metal ions and bio-active substances has been summarized1. Cloud point extraction (CPE) benefits the environment and has been used in separation of metal chelates, biomacromolecules and in pretreatment of environmental samples2-4. In a 10 mL color comparison tube 20% PEG-1000 and 2.5 g (NH4)2SO4 were chosen as phase separation condition at pH 5.5. The average extraction efficiencies we… 相似文献
5.
Glass capillary columns have been prepared without acidic additive in the stationary phase, from which free organic acids elute as sharp and symmetrical peaks. The required surface in the borosilicate glass capillary was generated by a combination of leaching with aqueous HCl and deposition of colloidal silica particles; it can be coated with stationary phases have a broad range of polarity. Aqueous samples containing free organic acids can also be analyzed in such columns in an isothermal mode. 相似文献
6.
R. C. Milward 《Fresenius' Journal of Analytical Chemistry》1973,264(3):195-199
Summary This article describes a new commercial Far-Infrared Fourier Spectrometer system which has been developed for routine spectroscopy in the 10–1000 cm–1 spectral region. The instrument incorporates real-time data processing and has been automated wherever possible for foolproof operation. A versatile sample chamber allows a wide range of spectroscopic studies to be performed, on solids, liquids and gases over a wide range of temperatures. A number of spectra are presented to illustrate the performance and typical applications of this Fourier spectrometer.
Ein neues fourier-spektrometer für das ferne infrarot
Zusammenfassung Nach einer kurzen Einführung in die Methode der Fourier-Spektroskopie wird ein neues kommerzielles Fern-Infrarot-Fourier-Spektrometer mit real-time Datenverarbeitungsanlage beschrieben. Das Gerät ist für die Spektroskopie im Bereich 10–1000 cm–1 konstruiert und weitgehend automatisiert. Eine vielseitig verwendbare Probenkammer ermöglicht umfangreiche spektroskopische Untersuchungen von Festkörpern, Flüssigkeiten und Gasen in einem sehr großen Temperaturbereich. Anhand einer Reihe von Spektren werden Leistung und typische Anwendungen dieses Fourier-Spektrometers erläutert.
Lecture presented at Euroanalysis I Conference, 28. 8.–1. 9. 1972 in Heidelberg, Germany. 相似文献
7.
Sandra S. Pröckl 《Tetrahedron》2005,61(41):9855-9859
In situ generation of highly active palladium species by intermediate dissolution of Pd from solid supported catalysts has been demonstrated to be a very successful approach for the activation of aryl chlorides in Heck reactions. The new ‘heterogeneous’ Pd catalysts act as reservoir for molecular Pd species with unsaturated coordination sphere in solution. Crucial Pd leaching and re-deposition onto the support can be controlled by optimization of reaction conditions and by the properties of the catalysts. Pd is re-deposited onto the support at the end of the reaction. The catalysts, palladium supported on activated carbon, on various metal oxides or fluorides and Pd complexes in zeolites, are easy to prepare, though the preparation conditions are crucial. The catalysts convert all aryl bromides completely within minutes (TON 100,000). Aryl chlorides (even deactivated ones) are converted with high yields, within 2-6 h. The catalysts belong to the most active ones in Heck reactions at all (including best homogeneous systems) and fulfill all relevant requirements for practical applications in laboratory and industry. 相似文献
8.
Angelika Baranowska-Łączkowska Berta Fernández Antonio Rizzo Filip Pawłowski 《Molecular physics》2015,113(13-14):1786-1793
Static and dynamic average polarisabilities and polarisability anisotropies of seven linear non-polar and polar molecules are calculated within the CCS, CC2, and CC3 approximations using a range of medium-sized basis sets: the polarised LPol-n (n = ds, dl, fs, fl), the aug-pc-n (n = 1, 2), the def2-SVPD, and -TZVPD basis sets. Reference values are obtained using a hierarchy of Dunning's (d-)aug-cc-pVXZ (X = D, T, Q, 5) basis sets. The results are discussed together with the available CCSD values in terms of basis set and correlation method errors, and their ratio. Detailed analysis shows that already the def2-SVPD basis set can be used in CCS polarisability calculations. When affordable, the slightly larger aug-pc-1 basis set is recommended, as it leads to significant reduction of basis set error. The def2-TZVPD, LPol-ds, and aug-pc-2 basis sets are optimal choice within the CC2 approximation, with the latter allowing to approach the CC2 basis set limit. The LPol-ds, -dl, and def2-TZVPD sets outperform the aug-cc-pVTZ set in average polarisability CCSD calculations, with the def2-TZVPD being competitive to other reduced-size sets also in determination of polarisability anisotropy. The aug-pc-2 basis is a particularly attractive choice for CCSD, giving the accuracy of aug-cc-pVQZ at a significantly reduced computational cost. The polarisability anisotropy is shown to be more computationally demanding than the average polarisability, in particular with respect to the accuracy of the correlation method and an accurate evaluation of this property requires at least the CCSD model. 相似文献
9.
P. Lakshmi Reddy D. Ashok Kumar M. Lakshmi Devi T. Veera Reddy B.V. Subba Reddy R. Narender 《Tetrahedron letters》2014
A three-component, four center Ugi reaction of 3-(1-(2-aminophenyl)-5-phenyl-1H-pyrrol-2-yl)propanoic acid with aromatic aldehyde and t-butyl isocyanide has been achieved to produce a novel class of N-tert-butyl-2-(6-oxo-11-phenyl-7,8-dihydrobenzo[b]pyrrolo[1,2-d][1,4]diazacine-5(6H)-yl)-2-phenylacetamides in moderate to good yields. 相似文献
10.