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This paper is devoted to a detailed theoretical study of an ion pair SN2 reaction LiNCO+CH3F in the gas phase and in solution at the level of MP2(full)/6-31+G**//HF/6-31+G**. Two possible reaction mechanisms, inversion and retention, are discussed. There are eight possible reaction pathways. The inversion mechanism is more favorable no matter in the gas phase or in solution based on analyses of the transition structures. Methyl isocyanate should form preferentially in the gas phase and more stable methyl cyanate is the main product in solution. The retardation of the reaction in solvents was attributed to the difference in solvation in the separated reactants and in the transition state. 相似文献
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恩格尔系数衡量城镇居民生活水平适用性 总被引:2,自引:0,他引:2
根据我固1980年和2000年恩格尔系数所反映的各省(市)居民生活水平资料,发现两个不同时期其真实性有很大差异,分析了造成这种差别的原因:(1)职工非现金福利收入的增加;(2)少数职工的非法收入的大量增加;(3)居民饮食结构的改变;(4)物价上涨的影响;(5)恩格尔系数本身存在技术问题;(6)抽样调查本身存在问题,提出用一种“新系数”来衡量城镇居民生活水平,其优点是:(1)不受各地区实际支出,即人为控制调节的影响;(2)不需用其他指标作解释,直观性强;(3)因可以扣除物价因素,它不受物价波动的影响;(4)调查户填报和计算简易方便。可扩大样本调查量,提高反映住户总量可靠性。 相似文献
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2,6- and 2,7-Dimethylanthracenes were reduced seriatim with lithium in liquid ammonia and lithium in methylamine to their 1,4,5,8,9,10-hexahydro derivatives. Two-fold epoxidation of these tetraenes provided the cis and trans diepoxides resulting from electrophilic attack at the inner double bonds. Trans diepoxide 1 has the very unusual characteristic of lacking a σ plane of symmetry but possessing an inversion center. As a consequence, the 1H NMR spectrum of C1-symmetric 1 is simplified relative to those of its isomers 5, 9, and 10. 相似文献
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This paper presents a method to estimate reflected and transmitted wave amplitude spectra in a bounded domain such as a wave tank, when available data signals must be shortened due to interferences and wall effects. This paper extends the well known Goda and Suzuki two-probe method to three probes. The paper also suggests solutions to compute reliable transmission and reflection coefficients in spite of problems linked to higher harmonics and to the interference between different wave trains propagating in the tank. To cite this article: G. Duclos, A.H. Clément, C. R. Mecanique 331 (2003). 相似文献
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The core of an ideal is the intersection of all its reductions. We describe the core of a zero-dimensional monomial ideal I as the largest monomial ideal contained in a general reduction of I. This provides a new interpretation of the core in the monomial case as well as an efficient algorithm for computing it. We relate the core to adjoints and first coefficient ideals, and in dimension two and three we give explicit formulas. 相似文献
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Irina Markina 《Journal of Functional Analysis》2007,245(2):475-492
We consider coefficient bodies Mn for univalent functions. Based on the Löwner-Kufarev parametric representation we get a partially integrable Hamiltonian system in which the first integrals are Kirillov's operators for a representation of the Virasoro algebra. Then Mn are defined as sub-Riemannian manifolds. Given a Lie-Poisson bracket they form a grading of subspaces with the first subspace as a bracket-generating distribution of complex dimension two. With this sub-Riemannian structure we construct a new Hamiltonian system to calculate regular geodesics which turn to be horizontal. Lagrangian formulation is also given in the particular case M3. 相似文献
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Reaction of gem-difluorinated vinyloxiranes with RCu(X)Li allowed us to introduce the R group regioselectively at the fluorine-attached terminal carbon atom in an SN2′ manner to afford (E)-allylic alcohols exclusively, while homoallylic alcohols with anti stereochemical relationship were found to be obtained selectively from higher-ordered cuprates derived from CuCl and RMgBr in a ratio of 1:3. 相似文献
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