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《光谱学快报》2013,46(1):93-107
The solvatochromic shift of the C?O stretching frequency of acetophenone is studied by cluster (CA) and principal component analysis (PCA) confirming our previous results about the determining contributions to the polarity, polarizability, and electrophilicity of the medium on this effect. It is shown that the used combination of Varimax mode of PCA and multiple regression (apportioning modeling) makes it possible to obtain absolute principal component scores (APCS), which include the solvent parameters describing definite solute–solvent interactions. The adequateness of the suggested chemometric model is checked by “reverse” CA of 25 solvents as objects with respect to the APCS calculated. 相似文献
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趋向统一发展的团簇科学 总被引:1,自引:0,他引:1
团簇科学在发展过程中,从原子核物理、凝聚态物理和量子化学等引入许多概念和方法,构成团簇研究的中心议题,逐渐形成一门介于原子分子物理和凝聚态物理之间的交叉学科.文章就团簇结构和性质研究的某些最新进展进行了评述,并与原子核和量子点等的性质进行了比较. 相似文献
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超短脉冲强激光与团簇的相互作用已被证明能够产生能量高达MeV量级的高能离子和中子以及非常强的X射线辐射。广阔好原子团簇在超短脉冲强激光场的作用下的加热、电离和膨胀等机制,对这种相互作用的深入研究可能会对激光核聚变和X射线激光等应用领域产生重大影响。 相似文献
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The E2 reduced transition probabilities between the d-a cluster states of 6Li were calculated by the RGM in this paper.The resulting B(E2;E1→E0)=21.06fm4 consistented with the experimental value 25.1±2.0fm4 more than the calculated values of the double-well cluster model including p-state exciting and LCCO.Also,the B(E2;E3→E0)=9.67fm4 coincided with the exprimental value 6.483±3.360fm4 within the error range. 相似文献
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总结LD泵浦全固体绿激光器的3种常见腔型:即传统直腔、三镜折叠腔和四镜环行腔。分别对3种腔型的特点进行分析。 相似文献
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Within the framework of the Glauber theory, we divide the many particle systeminto two subsystems formed. by the "valence" particles and "sea" particles respective-ly. Then the multiple scattering amplitudes can be divided into "sea","sea","sea","valence", "valence","sea", and "valence","valence" multiple scattering amplitude.For the calculations of these different amplitudes different effective approximatemethods are proposed, Finally, for "sea"."sea". "sea""valence", "valence" "sea"and "valence"."valence" processes, we obatain the respective S-matrices which phy-sically clear and convenient in calculation. 相似文献
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团簇淀积纳米结构薄膜的计算机模拟 总被引:1,自引:0,他引:1
对团簇的淀积方式作了简介。着重对团簇的淀积过程进行了计算机模拟,从中得出了淀积的尺寸分布与团簇在衬底上的徙动长度有关,而团簇的聚合长大存在一临界尺寸。并给出低能Pb团簇在碳膜表面的徙动长度和聚合的临界尺寸。 相似文献
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采用Lowdin方法计算了处于压缩状态的氦原子团簇He9体心立方向型的排斥势及其多体分量,并由此计算出团簇微观压强及其多体分压强。结果发现,多体作用对氦原子团簇He9压缩特性贡献较大。在相同体积下,由两体近似方法计算的体系压强比多原子体系实际压强偏高10%~30%;考虑三体分压强修正后,近似理论的计算值又会偏低1.5%~10%;只有同时考虑三体、四体修正后,近似理论计算值与实际多原子体系的压强值基本一致。团簇He9所表现出的压缩特性与固态氦的实验结果相符合。 相似文献
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胶体晶体结晶的物理过程和以胶体晶体为基的三维周期性集团点阵材料的制备是目前实验凝聚态物理的一个热点领域,文章对胶体粒在悬浮液中自组织有序化的物理机制、结构相变与形态的形成和以胶体晶体为基的人造三维周期性点材料作了介绍,无论是从实验上还是理论上看,对胶体体系中发生的自组织有序化的物理机制还有没有给出令人信服的证据和解释。而胶体晶体的制备为具有新异功能的三维周期性集团国材料设计开辟了一条新途径,因而在 相似文献
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Atomic and nuclear cluster effects of (D+3) were studied by alternative implantation of deuterium cluster ion beam and isolated deuteron (D+) beam on metal targets. The beam energy was adjusted from 10keV/d to 100keV/d in experiment. The atomic cluster effect was shown by the enhancement of X-ray emission induced by cluster deuterion. The average ratio of X-ray intensity induced by each cluster deuteron to that induced by each isolated deuteron is about 2.6 in the experimental energy region. The nuclear cluster effect is shown by the difference of D-D fusion rates induced by two kinds of deuterons under the same experimental conditions. The ratio of the D-D fusion rates induced by the two kinds of deuterons is energy dependent. 相似文献
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强激光场中原子团簇的电离和光辐射 总被引:2,自引:2,他引:0
通过数值求解一维含时薛定谔方程,研究了原子与原子围簇的电离、电子的时间演化和光辐射现象。结果表明,原子团簇比原子更易于电离,原子团簇中电子的时间演化和原子中电子的时间演化不同,光辐射频率也要高很多。 相似文献
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Based upon the experiments on electric form factor for deutron use is made of the valon model to determine the valon distribution functions in a six-quark cluster. By using the QCD evolution equation, the Q2 dependence of the structure function of a six-quark cluster is obtained. The EMC effect is discussed and it is pointed out that the distortion of the nucleon structure function in nuclei may be ascribed to the contributions from the six-quark cluster(for x>0.3) and the meson cloud(for x<0.3). 相似文献