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1.
Chemical bonding in representative astrophysically relevant neutral,cation, and anion HCnH chains
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Ioan Baldea 《中国物理 B》2022,31(12):123101-123101
Most existing studies assign a polyynic and cumulenic character of chemical bonding in carbon-based chains relying on values of the bond lengths. Building on our recent work, in this paper we add further evidence on the limitations of such an analysis and demonstrate the significant insight gained via natural bond analysis. Presently reported results include atomic charges, natural bond order and valence indices obtained from ab initio computations for representative members of the astrophysically relevant neutral and charged HC2k/2k+1H chain family. They unravel a series of counter-intuitive aspects and/or help naive intuition in properly understanding microscopic processes, e.g., electron removal from or electron attachment to a neutral chain. Demonstrating that the Wiberg indices adequately quantify the chemical bonding structure of the HC2k/2k+1H chains—while the often heavily advertised Mayer indices do not—represents an important message conveyed by the present study. 相似文献
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为了准确计算出镀膜过程中每层膜的折射率,介绍了实时监控过程中确定膜层折射率的2种方法:一种是由实测的透射比光谱直接反算出膜层的折射率;另一种是用最小二乘法的优化算法实时拟合折射率。试验结果表明:在线反算适合单点监控,所得折射率误差小于2%。然而在实际镀膜过程中,由于宽带内膜层参数误差较大,一般大于25%。为此,采用最小二乘法拟合,即在整个宽光谱范围内采集每个波长点的信息,所得结果误差很小,一般都在2%~5%之间,有时可达到10%,在很大程度上提高了实际镀膜时膜厚监控的精度。 相似文献
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Hiroto Kudo Nobuhito Ito Keiji Nakajima Masami Ochiai Tadatomi Nishikubo 《Journal of polymer science. Part A, Polymer chemistry》2007,45(19):4421-4429
The polyaddition of fluorine‐containing bis(epoxide)s and fluorine‐containing triazine di(aryl ether)s were examined to give the corresponding fluorine‐containing poly(cyanurate)s. It was observed that the synthesized fluoropolymers had good thermal stabilities and good film‐forming properties. The glass transition temperatures (Tg's) and refractive‐indices (nD's) of synthesized polymers were determined by differential scanning calorimetry and ellipsometry, respectively, and it was found that the values of Tg's and nD's were supported by their fluorine containing ratios and skeletons. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 4421–4429, 2007 相似文献
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This paper derives the optimal trajectories in a general fluid network with server control. The stationary optimal policy in the complete state space is constructed. The optimal policy is constant on polyhedral convex cones. An algorithm is derived that computes these cones and the optimal policy. Generalized Klimov indices are introduced, they are used for characterizing myopic and time-uniformly optimal policies.Received: November 2004 / Revised: February 2005The research of this author has been supported by the project ‘‘Stochastic Networks’’ of the Netherlands Organisation for Scientific Research NWO. 相似文献
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Linear and nonlinear optical properties of racemic (±)2-(α-methylbenzylamino)-5-nitropyridine ((±)MBANP) single crystals have been comprehensively investigated and compared with those of the enantiomorph (–)2-(α-methylbenzylamino)-5-nitropyridine ((–)MBANP) crystals. (±)MBANP crystal exhibits very high chemical and physical stability, but relatively small nonlinear optical coefficients (d31 = 6.8 pm/V, d32 = 4.7 pm/V, d33 = 0.84 pm/V). A comparison between the nonlinear optical coefficients of (±)MBANP and (–)MBANP demonstrates the validity of the oriented-gas model in molecular crystals that neglects all the contributions from intermolecular interaction. 相似文献
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The refractive indices (n) of eight standard oils from Physikalisch Technische Bundesanstalt, Germany were determined with an accuracy of ±1×10−4 by using Abbe Refractometer. The measurements were performed at temperature 20°C in the spectral range 0.4–0.7 μm. The experimental data were fitted to the simple Cauchy dispersion formula and the results were found to be consistent within the limits of experimental error. In all cases, the refractive index decreased monotonically with increasing wavelength. The refractive indices (n) of these oils have been measured as a function of the temperature t (20°C up to 50°C) at λ=0.589 μm and were found to have linear temperature dependencies. The refractive indices of the studied oils and the uncertainty in their values are calculated at λ=0.589. The Lorentz–Lorenz (L–L) formula has been tested and it was found to be valid with a maximum deviation of 0.4% and was used to calculate the molecular polarizability θ. 相似文献
9.
We demonstrate the potential of femtosecond two-color pulse interferometry for in vitro optical glucose monitoring, by dispersion of the group refractive index in a glucose solution sample with respect to a red-color
light and a blue-color light. By comparison with femtosecond one-color pulse interferometry, the basic performance of the
present system with regard to sensitivity, quantitativeness, and tolerance to surrounding disturbances, is evaluated. The
resulting accuracy and precision of glucose determination are 77 and 118mg/dl for 10-mm-sample-thickness, respectively. This
near-common-path configuration of the two-color pulse light provides good stability to fluctuations of sample temperature,
which is important in clinical applications. Considering the performance of femtosecond two-color pulse interferometry as
an optical glucose sensor, a suitable measurement site for in vivo optical glucose monitoring is discussed. 相似文献
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用迈克耳逊干涉仪测量气体折射率的误差的研究 总被引:1,自引:0,他引:1
研究在用迈克尔逊干涉仪测量气体折射率时存在的系统和方法误差,提出了误差修正方法。 相似文献