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961.
Priyanka G. Mandhane 《Tetrahedron letters》2010,51(11):1490-939
We report a new environmentally-benign, convenient, and facile methodology for the synthesis of α-hydroxyphosphonates from an aromatic/heteroaromatic aldehyde with triethyl phosphite in the presence of potassium dihydrogen phosphate (KH2PO4) under ultrasound-assisted solvent-free conditions. Furthermore, a series of compounds were synthesized and characterized by melting point, EI-MS, NMR, and IR tools. Utilization of easy reaction conditions, isolation, and purification makes this manipulation very interesting from an economic perspective. 相似文献
962.
对临界Galton-Watson 过程,本文通过精细地构造条件Galton-Watson 树的方法, 在第n代不灭绝的条件下研究第nt代粒子数Znt的构造性性质(0ntl和Zntr.本文分别给出了{Zntl/n│Zn>0 }和{Zntr/n│Zn>0} 的条件极限性质,用概率的方法部分地解释了Spitzer, Lamperti和Ney的经典条件极限的结果. 最后还给出了最近共同祖先的条件分布. 相似文献
963.
This paper is intended to propose and analyze the lowest order conforming and nonconforming virtual element methods (VEMs) for a nonhomogeneous double obstacle problem in fourth-order variational inequality. We first present an abstract framework for the error analysis of an abstract discrete method. Then, we develop the conforming and fully nonconforming VEMs for the previous problem, with the optimal error estimates obtained by using the previous abstract framework combined with two modified interpolation operators and the related estimates. The discrete problem is solved by the primal–dual active set algorithm and the numerical results are in good agreement with theoretical findings. 相似文献
964.
Based on the theory of trigonal curve and the properties of three kinds of the Abel differentials on it, we deduce the explicit theta function representations of the Baker-Akhiezer function and the meromorphic function associated with the modified Boussinesq hierarchy. The modified Boussinesq flows are straightened using the Abel map and the Lagrange interpolation formula. The explicit theta function representations of solutions for the entire modified Boussinesq hierarchy are constructed with the aid of the asymptotic properties and the algebro-geometric characters of the meromorphic function. 相似文献
965.
966.
967.
用密度泛函理论在B3LYP/6-311++G(2d,2P)计算水平上对最低单态和最低三态的硝基甲烷分子进行了分子动力学计算分析,发现,硝基甲烷分子基态沿C-N键分解生成硝基和甲基反应通道上不存在过渡态,只能是在能量足够高的时候造成C-N键的断裂,键离解能为53.4kcal/mol;硝基甲烷分子在最低三态沿C-N键分解生成硝基和甲基的反应通道上,有一个活化能为87.8kcal/mol的能垒。计算得到硝基甲烷分子从基态到最低三态份分解反应发生所需要的总能量为144.58kcal/mol.这个数值与硝基甲烷材料的电子碰撞实验在193nm处的有强吸收峰的结论相符合。依据多声子迁移理论,结合硝基甲烷分子在最低三态动力学分解的可能性,可以认为在相同条件下,硝基甲烷材料在撞击条件下,分子沿C-N键分裂生成硝基和甲基的反应在最低三态分子分解的可能性较大。文章用量化计算从分子构型、频率分析和势能面扫描方面对分析结论进行了加强和确定。并且,依据多声子迁移理论对硝基甲烷分子基态键离解过程、基态到三态激发过程和最低三态活化过程中的声子迁移进行了初步分析。 相似文献
968.
利用基于密度泛函理论(DFT),采用赝势平面波方法和广义梯度近似法(GGA)研究了闪锌矿ZB结构和盐岩RS结构GaP的基态电子结构、光学性质,根据能带理论初步研究GaP基态能带结构、总态密度(DOS)和分波态密度(PDOS),并计算出吸收系数,反射率,复介电函数,复折射率及能量损失函数.还计算了闪锌矿结构的GaP的各向异性. 相似文献
969.
Kazumi Tanuma 《Journal of Elasticity》2007,89(1-3):5-154
The Stroh formalism is a powerful and elegant mathematical method developed for the analysis of the equations of anisotropic
elasticity. The purpose of this exposition is to introduce the essence of this formalism and demonstrate its effectiveness
in both static and dynamic elasticity. The equations of elasticity are complicated, because they constitute a system and,
particularly for the anisotropic cases, inherit many parameters from the elasticity tensor. The Stroh formalism reveals simple
structures hidden in the equations of anisotropic elasticity and provides a systematic approach to these equations. This exposition
is divided into three chapters. Chapter 1 gives a succinct introduction to the Stroh formalism so that the reader could grasp
the essentials as quickly as possible. In Chapter 2 several important topics in static elasticity, which include fundamental
solutions, piezoelectricity, and inverse boundary value problems, are studied on the basis of the Stroh formalism. Chapter
3 is devoted to Rayleigh waves, for long a topic of utmost importance in nondestructive evaluation, seismology, and materials
science. There we discuss existence, uniqueness, phase velocity, polarization, and perturbation of Rayleigh waves through
the Stroh formalism.
The Table of Contents and Index are also provided as Electronic Supplementary Material for online readers at doi: 相似文献
The Table of Contents and Index are also provided as Electronic Supplementary Material for online readers at doi: 相似文献
970.
To value catastrophic mortality bonds, a number of stochastic mortality models with transitory jump effects have been proposed. Rather than modeling the age pattern of jump effects explicitly, most of the existing models assume that the distributions of jump effects and general mortality improvements across ages are identical. Nevertheless, this assumption does not seem to be in line with what we observe from historical data. In this paper, we address this problem by introducing a Lee–Carter variant that captures the age pattern of mortality jumps by a distinct collection of parameters. The model variant is then further generalized to permit the age pattern of jump effects to vary randomly. We illustrate the two proposed models with mortality data from the United States and English and Welsh populations, and use them to value hypothetical mortality bonds with similar specifications to the Atlas IX Capital Class B note that was launched in 2013. It is found that the features we consider have a significant impact on the estimated prices. 相似文献