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1.
苝二酸酐与嘧啶衍生物的氢键组装 总被引:1,自引:0,他引:1
用半经验AM1方法对苝二酸酐与嘧啶衍生物的1:1及1:2氢键复合物进行理论研究,表明随着氢键数目增多,弱相互作用能变大,主体上的供电基和客体上的吸电基有利于氢键相互作用,氢键导致电子从主体流向客体.用INDO/SCI方法计算配合物的电子光谱,表明其长波吸收峰与主体相比发生兰移,各配合物的长波吸收峰位置相差不大,与实验一致.讨论吸收峰兰移的原因并对电子跃迁进行理论指认,同时得到了配合物的双质子转移势能曲线,给出了相对于N-H键的过渡态和活化能. 相似文献
2.
In this article,we consider Orlicz-Lorentz sequence spaces equipped with the Orlicz norm(λφ,ω,‖·‖Oφ,ω) generated by any Orlicz function and any non-increasing weight sequence.As far as we know,research on such a general case is conducted for the first time.After showing that the Orlicz norm is equal to the Amemiya norm in general and giving some important properties of this norm,we study the problem of existence of order isomorphically isometric copies of l∞... 相似文献
3.
用INDO法对C28X4(X=H,Cl)和CX4(X=H,Cl)进行几何构型优化,得到Td对称性的构型C28X4有4种键、4种不等同原子,基态为稳定的闭壳层分子,以此构型为基础计算了上述分子的电子光谱,并预测C28X4的电子光谱。 相似文献
4.
Ye Gao YIN* Willis FORSLING Dan BOSTR諱 Oleg ANTZUTKIN Mats LINDBERG Alexander IVANOV Department of Chemistry Faculty of Science The University of Shantou Shantou Division of Inorganic Chemistry Department of Chemical Metallurgical Engineering Lule?University of Technology. Lule?se- Sweden Department of Chemistry Ume University Ume se-- Sweden 《中国化学快报》2003,14(2)
Owing to the particular affinity toward metal ion and changeable dentation, dialkyldithiophosphates are commonly used ligands in preparation of the transition metal complexes with variable structures1. For instances relevant to this work, the IIB metal complexes defined crystallographically so far have provided the examples as follows2-12 (Scheme 1). Scheme 1 The frameworks of IIB metal complexes of dialkyldithiophosphate MMMMMMMMMM a b c d … 相似文献
5.
ZHAO Chunxia XU Guowang SHI Xianzhe MA Jianmei ZHANG Yan L?Shen & YANG Qing . Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian China . Cell Laboratory Second Affiliated Hospital Dalian Medical University Dalian China 《中国科学B辑(英文版)》2004,47(2):166-172
With the accomplishment of Human Genome Project (HGP), single nucleotide polymorphism (SNP) and mutation detection in human genome are becom-ing a new researching focus. These researches can help us to understand the phenotype diversity of indi-vidual, disease susceptibility and drug resistance of different colonies. Traditional method used for muta-tion detection is slab gel electrophoresis, which re-mains labor-intensive and time-consuming because of the requirement of radioactivity or te… 相似文献
6.
Equilibrium geometries of 16 possible isomers for C74(BN)2 were studied by INDO series of methods, to indicate that the most stable three geometries are those where boron and nitrogen atoms substitute carbon atoms located at the same hexagon near the longest axis of C78 (C2v) to form B-N-B-N unit. Electronic spectra of C74(BN)2 were investigated with INDO/CIS method. The reason for the red shift of UV absorptions for C74(BN)2 compared with those of C78 (C2v) was discussed. IR spectra for 9,8,28,29-C74(BN)2 and 28,29,30,31-C74(BN)2 were calculated on the basis of AM1 geometries. 相似文献
7.
8.
We propose and experimentally validate an optical true time delay beamforming scheme with straightforward integration into hybrid optical/millimeter(mm)-wave access networks. In the proposed approach, the most complex functions, including the beamforming network, are implemented in a central office, reducing the complexity and cost of remote antenna units. Different cores in a multi-core fiber are used to distribute the modulated signals to high-speed photodetectors acting as heterodyne mixers. The mm-wave carrier frequency is fixed to 50 GHz(VBand), thereby imposing a progressive delay between antenna elements of a few picoseconds. That true time delay is achieved with an accuracy lower than 1 ps and low phase noise. 相似文献
9.
Numerical tests of theoretical models describing ionization of H(1s) atom by linearly polarized flat pulse of laser radiation 下载免费PDF全文
We derive the well-known Coulomb correction factor for the Gordon-Volkov wave function describing an outgoing electron in the process of ionization in an intense laser field. Although rigorous treatment would limit its use only to laser fields much lower than the so-called barrier-suppression field, it appears that in practice the correction factor may be used also close to and even above this critical value of the laser field. We compare predictions of several analytical expressions describing ionization rate of the hydrogen atom in its ground state in the strong linearly polarized laser field. We also compare ionization probabilities obtained by integrating these ionization rates over a temporal envelope of the laser pulse with predictions based on the exact numerical solution to the time-dependent Schr ¨odinger equation. 相似文献
10.
In this paper certain classes of meromorphic functions in punctured unit disk are defined. Some properties including coefficient inequalities, convolution and other results are investigated. 相似文献