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31.
G. Richard Geier III 《Tetrahedron》2004,60(50):11435-11444
To better understand the effects of diverse substituents on reactions leading to porphyrins, pyrrole+aldehyde condensations and related reactions of dipyrromethanes were examined. The course of pyrrole+aldehyde condensations was investigated by monitoring the yield of porphyrin (by UV-Vis spectroscopy), reaction of aldehyde (by TLC), and changes in the composition of oligomers (by laser desorption mass spectrometry). Reaction reversibility was examined via exchange experiments. Reversibility of reactions leading to porphyrin was further probed with studies of dipyrromethanes. The reaction course was found to depend on the nature of the substituent and the acid catalyst. Alkyl or electron-donating substituents displayed levels of reversibility (exchange/scrambling) on par or greater than that of the phenyl substituent, whereas electron-withdrawing or sterically bulky substituents exhibited little to no reversibility. The results obtained provide insight into the electronic and steric effects of different substituents and should facilitate the design of synthetic plans for preparing porphyrinic macrocycles. 相似文献
32.
33.
Some features of software implementation of the Pulay scaling procedure are considered. The advantages of the single value decomposition method for maintaining well-conditionality of the scale factor determination problem are demonstrated. The necessity of using a rational number of scale factors is shown. The possibility of obtaining transferable scale factors with the Pulay method and thus predict the vibrational spectra of related compounds is emphasized. 相似文献
34.
Grigor'ev S. A. Kalinnikov A. A. Porembskii V. I. Baranov I. E. Borisova E. V. Fateev V. N. 《Russian Journal of Electrochemistry》2004,40(11):1188-1192
A two-dimensional mathematical model for the transport of reactants in a fuel cell with a solid polymer electrolyte is developed. The model is used for analyzing spatial distributions of the concentration of reactants and current density over the cell. The effect of the catalytic-layer activity, reactant speed, bipolar-plate geometry, thickness and porosity of current collector and/or gas-diffusion sublayer, and the reaction mixture composition on the fuel cell efficiency is estimated theoretically and experimentally. 相似文献
35.
T. K. Solovykh 《Journal of Applied Spectroscopy》1997,64(5):654-657
The role of impurity ions in formation of the optical properties of rare-earth orthoferrites is investigated. Optical spectra
of the substituted against unsubstituted orthoferrites are presented. The influence of different isovalent substitutions on
the optical absorption of orthoferrites that are promising for magnetooptics is studied.
Institute of Solid-State and Semiconductor Physics of the Academy of Sciences of Belarus, 17, P. Brovka St., Minsk, 220072,
Belarus. Translated from zhurnal Prikladnoi Spektroskopii, Vol. 64, No. 5, pp. 642–645, September–October, 1997. 相似文献
36.
Mass distributions of fragments in the low-energy fission of nuclei from 187Ir to 213At have been analysed. This analysis has shown that shell effects in symmetric-mode fragment mass yields from the fission of pre-actinide nuclei could be described if one assumes the existence of two strongly deformed neutron shells in the arising fragments with neutron numbers N1 ≈ 52 and N2 ≈ 68. A new method has been proposed for quantitatively describing the mass distributions of the symmetric fission mode for pre-actinides with A ≈ 180–220. 相似文献
37.
对溴分子在68800-7200cm^-1范围内的两个被观察到的[^2Π3/2]4d偶宇称里堡态的转动光谱进行了计算模拟,确定了转动常数,并且证实了原先对实验光谱的传动结构和电子角动量的标识。 相似文献
38.
B. Sadashive Gowda G.S.V.L. Narasimham M.V. Krishna Murthy 《International Journal of Heat and Fluid Flow》1997,18(6):613-624
In this paper, a mathematical model for forced-air precooling of spherical food products in bulk is developed. The foods are arranged in horizontal layers stacked one above the other to form a rectangular parallelepiped with a vertical gap in between the product layers. The foods are cooled by chilled air blown along the height of the package. The governing equations for the conduction heat transfer in the foods, simultaneous heat and mass transfer at the food-air interface and in the air stream are solved numerically using finite-difference methods. A comprehensive numerical study is performed by varying the process parameters over a wide range. Typical results showing the variation of moist air properties along the height of the package and the effect of each parameter on the process time are presented. The ranges of parameters for advantageous operation of the precooling system are identified. Correlations are obtained for the process time based on the product center and mass-averaged temperatures in terms of process parameters. 相似文献
39.
本文系统研究了MFX体系中Eu3+荧光光谱特征,着重讨论了X-,M2+及杂质缺陷(主要为O2-)对Eu3+发光的影响. 相似文献
40.
A simple model has been developed to describe the Zeeman patterns of far-infrared laser magnetic resonance spectra of the monobromomethyl radical CH2Br observed at 447.3 and 671.1μm. A satisfactory agreement between the experimental spectra of the radical and their simulation with this simple model has been achieved. This approach can be used to gain further information about the structure and the spectrum of this interesting radical. 相似文献