共查询到20条相似文献,搜索用时 109 毫秒
1.
几种芳香胺类有机EL材料性质的最子化学研究 总被引:1,自引:0,他引:1
几种芳香胺类化合物E-12、E-13、E-14和E15均为性能良好的有机电致发光(EL)和光致发光(PL)材料。采用最子化学计算方法,用RHF/AM1方法优化其构型,用RHF/CIS方法计算其电子光谱,计算结果与实验值基本吻合。 相似文献
2.
几种多环芳烃化合物EL材料性质的量子化学研究 总被引:1,自引:1,他引:0
采用从头算方法(RHF/4-31G)和半经验方法AM、PM3对几种多环芳烃化合物电致发光(EL)材料的性质进行了理论研究。并对三联苯作了构象分析,找出能量最低的构象,即两侧苯环分别城外各扭转41.6°±0.5°,对各优化后的构型作振杂质镁未出现虚频率,在此基础上,采用RHF/CIS方法计算其电子光谱,并给出了化合物E2,E3电子光谱的波长λ与CIS的组态数之间的民有计算结果与实验值基本吻合。 相似文献
3.
采用量子化学半经验方法AM1对几种稠环芳烃电致发光材料(EL)的性质进行了理论研究,对9,10-二苯基蒽作了构象找出了能量最低的构象。对各化合物优化后的构型作振动分析,均未出现虚频率。在此基础上,采用CIS方法计算其电子光谱,并出了4种化合物电子光谱的波长λ功能CIS组态数之间的关系。所有计算结果与实验值基本吻合。 相似文献
4.
本文使用基于ab inito RHF,UHF/STO-3GMO法辅以能量梯度方法优化CIPS,CISP的基态(S0)和第一激发叁态(T10第一激发单态(S1)的平衡几何构型,及CIPS→CISP在异构化过程中各势能剖面的过滤态的几何构型。并用MP4/6-31G进行了相关校正。所得CIPS分子基态(1A)的几何构型计算结果与IR及Raman实验数据吻合,并解释了至今尚未发现CIPS分子的实验事实。预 相似文献
5.
6.
在6-31G**水平上优化了2,4-二氨基-1,3-环丁烷二酮(NDQ)的分子构型,并计算了振动频率。分别用有限场方法(FF)及耦合微扰方法(CPHF)在ab initio/4-31G+pb/p水平上计算值较RHF增大9%和78%。用三态模型对计算结果进行了分析。 相似文献
7.
EFFECTOFRADIALELECTRICALFIELDONNEOCLASSICALTRANSPORTINTOKAMAKSEFFECTOFRADIALELECTRICALFIELDONNEOCLASSICALTRANSPORTINTOKAMAKS¥... 相似文献
8.
DIELECTRONICRECOMBINATIONRATECOEFFICIENTSFORNEONLIKEIONSDIELECTRONICRECOMBINATIONRATECOEFFICIENTSFORNEONLIKEIONS¥ZhaoLibo;LiS... 相似文献
9.
Chen Zhangjin a b Xu Kezun b Xu Fuxin aa Department of Physics Anhui Unviersity Hefei b Department of Modern Physics University of Science Technology of China Hefei 《原子与分子物理学报》1998,(3)
LOWENERGYTRIPLEDIFFERENTIALCROSSSECTIONSFORELECTRONIMPACTIONIZATIONOFHYDROGENChenZhangjina,bXuKezunbXuFuxinaaDepartmentofPhy... 相似文献
10.
THEMACQMCALCULATIONOFTHETOTALENERGYCURVEFORTHEICOSAHEDRALCENTRALSTRUCTUREOFTHECLUSTERH-13ZhangJianping*LiPingGouQingquanInst... 相似文献
11.
Guided-Wave Two-Dimensional Acousto-Optic Scanner Using Proton-Exchanged Lithium Niobate Waveguide 总被引:1,自引:0,他引:1
Two-dimensional scanning of a 0.6328 mum guided-light beam has been realized using noncolinear acousto-optic (AO) coplanar Bragg diffraction together with colinear AO guided-mode to substrate radiation-mode conversion in a Z-cut Xpropagation LiNbO3 proton-exchanged (PE) waveguide. The two surface acoustic (SAW) waves utilized are at the center frequencies of 500 and 200 MHz, propagating in the Y and X axes, respectively. Two-dimensional scanning of approximately 720 resolvable light beam spots, namely, 18 40 (horizontal vertical) scanning, has been demonstrated using a light beam of 1.0 mm aperture. The total number of resolvable beam spots can be greatly increased from 720 by simply utilizing SAW transducers of larger bandwidth and a light beam of greater aperture. It should also be possible to significantly increase the diffraction efficiency from 3 % by optimizing the parameters of the PE waveguide and the SAWs. 相似文献
12.
S. G. Nedel’ko M. A. Krysyuk A. L. Apanasenko L. N. Lymarenko Z. T. Moroz 《Journal of Applied Spectroscopy》1997,64(1):55-61
Results of a study of the effect of γ-radiation on the spectral luminescence properties of cadmium tungstate crystals doped
with silver, bismuth, and molybdenum cations are presented. Spectral characteristics of the nondnnnoped crystals are briefly
described. Absorption and photo and X-ray luminescence spectra of the crystals taken before and after exposure to γ-radiation
(5.5·104 Gy) are compared. It is found that the spectral characteristics of the crystals doped with silver, bismuth, and molybdenum
cations do not change markedly after the exposure. The relation between the type of impurity-induced defects, individual characteristics
of the impurity cations, and the character of the effect of γ-radiation on the spectral luminescence properties of impure
crystals is analyzed (preliminarily).
Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 64, No. 1, pp. 55–60, January–February, 1997. 相似文献
13.
A simple technique of pulse compression, based on the linear chirp compensation of self-phase modulation (SPM) spectra in dispersion shifted fibers, is demonstrated. The optimization procedure is carried out, for a short span of a single-mode fiber, using a parabolic law, which describes the behavior of the squared output pulse width versus the pump peak power in the case of Gaussian pulses. The experimental results give a minimum pulse duration of 233 fs, which is in good agreement with the model. Shorter and coherent pulses, down to 90 fs, have been obtained by inserting an interference filter at the optical output. 相似文献
14.
The Shanghai Synchrotron Radiation Facility(SSRF)booster ring,a full energy injector for the storage ring,is deigned to accelerate the electron beam energy from 150MeV to 3.5GeV that demands high extraction efficiency at the extraction energy with low beam loss rate when electrons are ramping.Closed orbit distortion(COD)caused by bending magnet field uniformity errors which affects the machine performance harmfully could be effectively reduced by bending magnet location sorting.Considering the affections of random errors in measurement,both ideal sorting and realistic sorting are studied based on measured bending magnet field uniformity errors and one reasonable combination of bending magnets which can reduce the horizontal COD by a factor of 5is given as the final installation sequence of the booster bending magnets in this paper. 相似文献
15.
16.
We measure the waveform and phase curves of short optical pulses before and after transmission over different lengths of fibers by use of the pulse analyzer with the frequency-resolved optical gating (FROG),and numerically simulate pulse evolution under the experimental conditions.The nonlinear coefficient of the fiber is given by comparing the experimental results with the numerical ones.Difference between the experiment and numerical simulation is analyzed. 相似文献
17.
Resonance scattering of elastic spherical shell and cylindrical shell while the surrounding fluid medium has absorption is studied. The normal mode solution derived using exact elastic theory and the separation of variables is still applicable. However, the scattering form function has to be modified for the absorbing medium, otherwise the unreasonable result would be obtained. The backscattering form function in the absorbing medium is redefined, and the form function of elastic spherical and cylindrical shell with vacuum or solid matter filled is calculated in various absorption conditions. The results show that the absorption of surrounding fluid leads to notable attenuation of the coincidence resonances in the mid-frequency, but it has a little influence on the low-frequency resonance scattering induced by the filler inside the shell. 相似文献
18.
A versatile and low-cost single-beam self-referenced phase-sensitive surface plasmon resonance(SPR)sensing system with ultra-high resolution performance is presented.The system exhibits a root-mean-square phase fluctuation of ±0.0028.over a period of 45 min.i.e.a resolution of±5.2×10-9 refractive index units.The enhanced performance has been achieved through the incorporation of three design elements:a true single-beam configuration enabling complete self-referencing so that only the phase change associated with SPR gets detected,a differential measurement scheme to eliminate spurious signals not related to the sensor response,and the elimination of retardation drifts by incorporating temperature stabilization in the liquid crystal phase modulato .Our design should bring the detection sensitivity of non-labeling SPR biosensing closer to that achievable by conventional fluorescence-based techniques. 相似文献
19.
Ta2O5 films are prepared on BK7 substrates with conventional electron beam evaporation deposition.The effects of SiO2 protective layers and annealing on the laser-induced damage threshold (LIDT) of the films are investigated.The results show that SiO2 protective layers exert little influence on the electric field intensity(EFI)distribution,microstructure and microdefect density but increase the absorption slightly.Annealing iS effective on decreasing the microdefect density and the absorption of the films.Both SiO2 protective layers and annealing are beneficial to the damage resistance of the films and the latter is more effective to improve the LIDT.Moreover,the maximal LIDT of Ta2O5 films is achieved by the combination of SiO2 protective layers and annealing. 相似文献
20.
Yepeng Guan 《中国光学快报(英文版)》2008,6(6)
Gray cross correlation matching technique is adopted to extract candidate matches with gray cross correla- tion coefficients less than some certain range of maximal correlation coefficient called multi-peak candidate matches. Multi-peak candidates are extracted corresponding to three closest feature points at first. The corresponding multi-peak candidate matches are used to construct the model polygon. Correspondence is determined based on the local geometric relations between the three feature points and the multi-peak candidates. The disparity test and the global consistency checkout are applied to eliminate the remaining ambiguous matches that are not removed by the local geometric relational test. Experimental results show that the proposed algorithm is feasible and accurate. 相似文献