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101.
M. L. Mehta 《Monatshefte für Chemie / Chemical Monthly》1979,110(4):857-860
Molecular force field studies of hexabromo-thorates(IV) and-uranates(IV) have been carried out using four different force field models. Weighted least square adjustment has been used to fit the observed frequencies. Mean amplitudes of vibration have also been calculated at 0°K and 298°K. The trends of force constants and mean amplitudes have also been discussed.
Normal-Koordinaten Berechnungen an Actiniden(IV)-hexabromiden
Zusammenfassung Es wurden für die Rechnungen an Hexabromo-thoraten(IV) und-uranaten(IV) vier verschiedene Modelle herangezogen. Die beobachteten Frequenzen wurden mittels gewichteter Kleinster-Fehlerquadrat-Methode angepaßt. Die Trends bei den Kraftkonstanten und den mittleren Amplituden der einzelnen Verbindungen werden diskutiert.相似文献
102.
The partial molal volumes of Li+, Na+, K+, Rb+, Cs+, Cl–, Br–, I–, and NO
3
-
in DMSO at 25°C have been determined from ultrasonic vibration potential data and density data for solutions of uni-univalent electrolytes. Hepler's semiemprirical equation has been used to split ionic partial molal volumes into geometric and electrostrictive contributions. The results obtained in this work confirm the conclusion of our previous studies, namely, that the contribution of electrostriction is essentially determined by the properties of that layer of atoms, 0.3 to 0.4 nm thick, in contact with the ion and by the degree of steric hindrance of the poles of the dipole of the solvent molecule. On the other hand, the geometric contribution depends on the size of the solvent molecule and also on the arrangement of the solvent molecules about the ions. It is shown that the geometric contribution to the partial molal volume of ions is largely increased when ions cannot come close enough to the poles of the solvent-molecule dipole, owing to steric hindrance. 相似文献
103.
iPP/sPP, iPP/rPP, iPP/PVDF and iPP/PA-6 blends, and their β-nucleated forms were prepared in the present study. The components of iPP/sPP and iPP/rPP blends are compatible in the molten state. The phase structure of the melt of iPP/PVDF and iPP/PA-6 blends is heterogeneous. The melting and crystallisation characteristics as well as the structure and polymorphic composition of these blends were studied by polarised light microscopy (PLM) and differential scanning calorimetry (DSC). When semicrystalline polymers are added to iPP, the most important factor of the formation a blend with β-crystalline phase is the α-nucleation effect of the second polymer. In the case of polymers with an α-nucleating effect, the temperature range of their crystallisation should be lower than that of β-iPP. β-nucleated iPP/PVDF and iPP/PA-6 blends are extreme examples showing that completely β-iPP matrix can not form even in the presence of a highly effective β-nucleant, because of the strong α-nucleating ability and higher crystallisation temperature range of PVDF and PA-6. We found that the β-crystallisation tendency of random propylene copolymers can be enhanced by adding an iPP homopolymer. 相似文献
104.
In spite of Sinai's result that the decay of the velocity autocorrelation function for a random walk on
d
(d=2) can drastically change if local impurities are present, it is shown that local impurities can not abolish weak convergence to the Brownian motion if d2. 相似文献
105.
The structural parameters of the effective r g configuration of the LaI3 molecule were calculated using the DFT/B3LYP method. The difference between the calculated values of r e (La-I) and r g (La-I) is mostly due to the anharmonicity of the ν1 and ν2 vibrations and does not exceed the error in determining the distance r g (La-I) in the electron diffraction experiment. Inclusion of the anharmonicity of the ν2 and ν4 deformation vibrations in calculations leads to decreased amplitudes l(I…I) and shrinking effect δ(I…I) compared to the respective values obtained in the harmonic approximation. The LaI3 molecule proved to be more rigid than predicted by B3LYP calculations. 相似文献
106.
107.
Free vibration problems of lattice sandwich beams under several typical boundary conditions are investigated in the present paper. The lattice sandwich beam is transformed to an equivalent homogeneous three-layered sandwich beam. Unlike the traditional analytical model in which the rotation angles of the face sheets and the core are assumed the same, different rotation angles are considered in this paper to characterize the real response of sandwich beams. The analytical solutions of the natural frequencies for several typical boundary conditions are obtained. The effects of material properties and geometric parameters on the natural frequencies are also investigated. 相似文献
108.
George Pitsevich Elena Shalamberidze Alex Malevich Valdas Sablinskas Vytautas Balevicius Lars G. M. Pettersson 《Molecular physics》2017,115(20):2605-2613
The frequencies and intensities of vibration–rotational transitions of water molecules in an argon matrix were calculated for temperatures of 6 and 30 K. The rigid asymmetric top approximation was used with available literature values of the effective rotational constants in the ground and excited vibrational states. The calculations were carried out by taking into account the existence of a non-equilibrium population distribution between the rotational levels of ortho- and para-water isomers. It was assumed that the temperature relaxation of the population of rotational levels is independent of the ortho- and para-isomers. Comparison of the results of the theoretical calculations with experimental literature data shows good agreement for the majority of the rotational structure lines for symmetric and antisymmetric stretching vibrations both in the frequency values and in the values of the relative intensities. 相似文献
109.
虫害检测算法研究是开展虫害快速、准确监测,制定精准森防检疫措施的重要基础。以毛竹叶片为研究尺度,基于刚竹毒蛾危害下的寄主外部形态与内部生理现象总结,选择并实测叶损量LL、相对叶绿素含量RCC、相对含水量RWC、原始光谱的733.66~898.56 nm值(ρ733.66~898.56)、一阶微分光谱的562.95~585.25 nm值(ρ′562.95~585.25)与706.18~725.41 nm值(ρ′706.18~725.41)等理化参数,随机划分实验组(63组)和验证组(37组)并设计5次重复实验;分别运用Fisher判别分析、BP神经网络、随机森林等三种方法建立刚竹毒蛾危害等级的检测模型,从检测精度、Kappa系数及R2等指标对模型的检测效果予以分析和比较。结果显示,Fisher判别分析、BP神经网络、随机森林的检测精度分别为69.19%,65.41%,83.78%,Kappa系数分别为0.576 9,0.532 4和0.778 8,R2分别为0.722 2,0.582 6和0.870 9,总体而言,三种方法均具备刚竹毒蛾危害的检测能力,随机森林的检测效果最优,Fisher判别分析次之,再次为BP神经网络;从分等级来看,随机森林的检测精度亦优于Fisher判别分析与BP神经网络,但3种方法对中度危害等级的检测精度均有所不足。该成果可为刚竹毒蛾危害及其他病虫害检测算法的选择提供参考,并为进一步建立冠层、遥感影像像元等尺度的虫害检测模型奠定基础。 相似文献
110.
The dynamic string motion, which displacement is unilaterally constrained by the rigid termination condition of an arbitrary geometry has been simulated and analyzed. The treble strings of a grand piano usually terminate at a capo bar, which is situated above the strings. The apex of a V-shaped section of the capo bar defines the end of the speaking length of the strings. A numerical calculation based on the traveling wave solution is proposed for modeling the nonlinearity inducing interactions between the vibrating string and the contact condition at the point of string termination. It was shown that the lossless string vibrates in two distinct vibration regimes. In the beginning the string starts to interact in a nonlinear fashion with the rigid terminator, and the resulting string motion is aperiodic. Consequently, the spectrum of the string motion depends on the amplitude of string vibrations, and its spectral structure changes continuously with the passage of time. The duration of that vibration regime depends on the geometry of the terminator. After some time of aperiodic vibration, the string vibrations settle in a periodic regime where the resulting spectrum remains constant. 相似文献