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31.
张正丽 《新疆大学学报(理工版)》2003,20(2):167-170
通过对气相色谱各项技术指标及意义的介绍,使应用者娴熟地掌握气相色谱的各项技术指标和测算方法,正确的表达分析检测结果。 相似文献
32.
Using the full-potential linearized augmented plane wave (FP-LAPW) method, we have studied the effect of chemistry on the average intercalation voltage (AIV) caused by the Na ions intercalating into transition metal oxides. The effect of transition metal was systematically studied by varying M=Co, Ni and Mn in NaMO2 and fixing the α-NaFeO2 layered structure. The effect of the guest atoms into the host material is discussed in terms of the structural and electronic properties. Comparatively to Li intercalation, a significant electron transfer towards transition metal was found. This observation suggests that the transition metal contribute to the AIV determination and confirms the common assumption that intercalated electron reduces M4+ to M3+. 相似文献
33.
以一种新型的醌类光敏剂—菌生素 (HMB)为模型化合物 ,利用量子化学从头算HF/ 6 31G和含时密度泛函TD B3LYP/ 6 31G方法计算研究了卤代作用对醌类光敏剂分子性质和光敏活性的影响 .结果发现 ,卤代作用降低了HMB母体的HOMO和LUMO能级 (EHOMO和ELUMO)及其差值△E ,随卤族元素从上到下 ,EHOMO和ELUMO呈增大趋势 ,而△E呈减小趋势 ,使得分子激发光谱有不同程度的红移 ,在增加PQP三重态量子产率的同时降低了分子最低三重激发态的能量 ,两种作用相互抵消 ,使得卤代物的 1O2 量子产率与母体相似 ;增加了分子的绝热电子亲合势 ,使分子产生O2 -的能力下降 ;卤原子的引入 ,降低了HMB母体分子内氢键的强度 ,同时使顺式构型的分子内质子传递势垒增大 ,而使反式构型势垒减小 . 相似文献
34.
平台框架部件刚度的简化计算 总被引:1,自引:1,他引:0
利用卡氏定理,对惯性平台框架部件的刚度进行简化计算。通过微机编程获得数据,为结构设计初期合理选取结构参数提供参考。 相似文献
35.
Software Cold Test Simulation of Coupled Cavity Slow-Wave Structure in Millimeter Wave TWT 总被引:2,自引:0,他引:2
In this paper, the software cold-test simulation method to obtain RF dispersion, interaction impedance by MAFIA software is discussed considering effect of the conducting barrel in the millimeter-wave TWT. The dispersion simulation result is obtained more consistent with experiment data than the method that ignoring effect of the conducting barrel. By changing the structure parameter, high frequency characteristic will be affected. The change relationship of high frequency characteristic with structure parameter is obtained. The different calculation methods of the interaction impedance are discussed. These results are received and are consistent with experiment data. 相似文献
36.
The presented work offers new algorithms for phase evaluation in interferometric measurements. Several phase-shifting algorithms with an arbitrary but constant phase-shift between captured intensity frames are proposed. These phase calculation algorithms need to measure five frames of the intensity of the interference field. The algorithms are similarly derived as so called Carré algorithm. The phase evaluation process then does not depend on the linear phase shift errors. Furthermore, the detailed analysis of the algorithms with respect to most important factors, which affect interferometric measurements, is carried out. It is also studied the dependency of the evaluation algorithms on the phase shift values, and the proposed phase calculation algorithms are compared with respect to the resulting phase errors. The influence of most important factors in the measurement and evaluation process was simulated as systematic and random errors using a proposed mathematical model. 相似文献
37.
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39.
本文对Brauer第24问题[1]作了推广.利用Dade关于循环块的理论得到如下结果:设G是有限群,P是G的循环Sylowp子群.设|P|=pa,a为正整数.令Pi为P中唯一的pi阶子群,1ia.则|Cl(G)|=|Cl(NG(Pi))|的充分必要条件为PiG. 相似文献
40.
S. David Morley Raymond J. Abraham Ian S. Haworth David E. Jackson Martin R. Saunders Jeremy G. Vinter 《Journal of computer-aided molecular design》1991,5(5):475-496
Summary Four modifications to the COSMIC molecular mechanics force field are described, which greatly increase both its versatility and the accuracy of calculated conformational energies. The Hill non-bonded van der Waals potential function has been replaced by a two-parameter Morse curve and a new H-H potential, similar to that in MM3, incorporated. Hydrocarbon energies in particular are much improved.A simple iterative Hückel pi-electron molecular orbital calculation allows modelling of conjugated systems. Calculated bond lengths and rotational barriers for a series of conjugated hydrocarbons and nitrogen heterocycles are shown to be as accurate as those determined by the MM2 SCF method.Explicit hydrogen-bonding potentials for H-bond acceptor-donor atom pairs have been included to give better hydrogen bond energies and lengths. The van der Waals radii of protonic hydrogens are reduced to 0.5 Å and the energy well depth is increased to 1.0 kcal mol-1.Two new general atom types, N+
sp
2
and O-
sp
3
, have been introduced which allow a wide variety of charged conjugated systems to be studied. A minimum of parameterisation is required, as the new types are easily included in the Hückel scheme which automatically adjusts bond and torsional parameters according to the defined bond-order relationships. 相似文献