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101.
从普朗克(Planck)黑体辐射公式和实验测量数据出发,采用唯象的方法提出了包含两个可调参量,入射质子能量从阈能到150MeV,靶核质量数在44相似文献   
102.
刘珊  张妹  苏宇  刘权  廖显威 《波谱学杂志》2007,24(2):175-181
在B3LYP/6-31G水平下优化了3种黄酮醇类(山奈酚,槲皮素,杨梅素)化合物的几何构型. 在振动分析中,均未出现虚频率. 在B3LYP/6-31G的水平下计算了该类化合物的核磁共振碳谱. 研究结果表明:3种分子均有分子内氢键形成,且分子内氢键的键长为0.17~0.18 nm左右 . 本文讨论了羟基引入之后对邻近C的化学位移的影响. 从取代基对NMR的影响来看,随着取代基对苯环的供电子能力的加强,取代基邻近的一些C的化学位移有所改变.   相似文献   
103.
原子核阻止是核子–核子碰撞截面的可能探针   总被引:1,自引:1,他引:1  
利用同位旋相关的输运理论,研究了不同中子–质子比的碰撞系统在中能重离子碰撞过程中,原子核阻止的同位旋效应及其对束流能量和碰撞参数的依赖性.计算表明对于所研究的4个碰撞系统,在从费米能附近到大约150MeV/u的较宽入射能量范围内,近心碰撞的原子核阻止强烈地依赖于核子–核子碰撞截面的同位旋相关性,而对称势对它的影响并不明显.故原子核阻止是提取介质中核子–核子碰撞截面的灵敏探针.研究还表明动量相关势对原子核阻止的重要作用是不可忽略的.  相似文献   
104.
We consider the problem of approximating an optimal solution to a separable, doubly infinite mathematical program (P) with lower staircase structure by solutions to the programs (P(N)) obtained by truncating after the firstN variables andN constraints of (P). Viewing the surplus vector variable associated with theNth constraint as a state, and assuming that all feasible states are eventually reachable from any feasible state, we show that the efficient set of all solutions optimal to all possible feasible surplus states for (P(N)) converges to the set of optimal solutions to (P). A tie-breaking algorithm which selects a nearest-point efficient solution for (P(N)) is shown (for convex programs) to converge to an optimal solution to (P). A stopping rule is provided for discovering a value ofN sufficiently large to guarantee any prespecified level of accuracy. The theory is illustrated by an application to production planning.The work of Robert L. Smith was partially supported by the National Science Foundation under Grant ECS-8700836.  相似文献   
105.
N-Trimethylsilyl derivatives of 2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-diones have been prepared for the first time and the electrophilic substitution reaction of the trimethylsilyl group has been studied.  相似文献   
106.
Hybrid transparent and flexible siloxane-polypropyleneglycol (PPG) materials with covalent bonds between the inorganic (siloxane) and organic (polymeric) phases were prepared by sol-gel process. In order to improve the quality of the mechanical properties of these materials, different amounts of methyltriethoxysilane (MTES) were added to the initial sol. The effect of MTES addition on the structure of the composites was studied by Small-Angle X-Ray Scattering (SAXS) and 29Si Nuclear Magnetic Resonance (29Si NMR). In absence of MTES, SAXS spectra exhibit a peak that is assigned to spatial correlation due to short range order between the siloxane clusters embedded in the polymeric phase. The experimental results indicate that, for low MTES concentrations ([MTES]/[O] 0.8, O: ether-type oxygen of PPG), the silicon species resulting from hydrolysis and condensation of MTES fill the open spaces between polymeric chains, interacting with the ether-type oxygens. For larger MTES content ([MTES]/[O] 0.8), the number of free ether-type oxygen sites avalaible for reaction with such silicon species is not large enough. Consequently, a fraction of silicon species resulting from MTES addition graft to siloxane clusters formed by hydrolysis and condensation of the hybrid precursor. For all MTES concentrations the condensation degree of the siloxane phase, determined from 29Si NMR spectroscopy, is high (>69%), as expected under neutral pH synthesis conditions.  相似文献   
107.
Exhaled breath condensate is a promising, non-invasive, diagnostic sample obtained by condensation of exhaled breath. Starting from a historical perspective of early attempts of breath testing towards the contemporary state-of-the-art breath analysis, this review article focuses mainly on the progress in determination of non-volatile compounds in exhaled breath condensate. The mechanisms by which the aerosols/droplets of non-volatile compounds are formed in the airways are discussed with methodological consequences for sampling. Dilution of respiratory droplets is a major problem for correct clinical interpretation of the measured data and there is an urgent need for standardization of EBC. This applies also for collection instrumentation and therefore various commercial and in-house built devices are described and compared with regard to their design, function and collection parameters. The analytical techniques and methods for determination of non-volatile compounds as potential markers of oxidative stress and lung inflammation are scrutinized with an emphasis on method suitability, sensitivity and appropriateness. The relevance of clinical findings for each group of possible non-volatile markers of selected pulmonary diseases and methodological recommendations with emphasis on interdisciplinary collaboration that is essential for future development into a fully validated clinical diagnostic tool are given.  相似文献   
108.
Two new diglycolamide‐based task‐specific ionic liquids (DGA? TSILs) were evaluated for the extraction of actinides and lanthanides from acidic feed solutions. These DGA? TSILs were capable of exceptionally high extraction of trivalent actinide ions, such as Am3+, and even higher extraction of the lanthanide ion, Eu3+ (about 5–10 fold). Dilution of the DGA? TSILs in an ionic liquid, C4mim+ ? NTf2?, afforded reasonably high extraction ability, faster mass transfer, and more efficient stripping of the metal ion. The nature of the extracted species was studied by slope analysis, which showed that the extracted species contained one NO3? anion, along with the participation of two DGA? TSIL molecules. Time‐resolved laser fluorescence spectroscopy (TRLFS) analysis showed a strong complexation with no inner‐sphere water molecule in the EuIII? DGA? TSIL complexes in the presence and absence of C4mim+ ? NTf2? as the diluent. The very high radiolytic stability of DGA? TSIL 6 makes it one of the most‐efficient solvent systems for the extraction of actinides under acidic feed conditions.  相似文献   
109.
On Chalcogenolates. 206. N-Thioacetyl Dithiocarbamates and Esters of N-Thioacetyl Dithiocarbamic Acid Thioacetamide reacts with carbon disulfide in the presence of KH to form via the tetrabutyl ammonium salt dark yellow N-thioacetyl dithiocarbamates M[S2C? NH? CS? CH3], where M = K, Rb, Cs. The salts as well as the methyl and ethyl ester have been characterized by means of electron absorption, infrared, nuclear magnetic resonance (1H and 13C), and mass spectra. Attempts to synthesize N-thioacetyl dithiocarbamic acid were not successful.  相似文献   
110.
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