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With the same velocity ratio,stagnation point offset of the nozzles with uniform profiles was larger than that with top-hat profiles.

相同气速比下,喷嘴出口为"礼帽"分布时驻点的偏移量比均匀分布时大。

Further more, the related reaction barriers were evaluated on the basis of single point energy with zero point vibration correction, and the distribution of natural charge was analyzed at MP2/6-311++G** level.

同时在MP2/6-311++G**水平上对各驻点做了单点能计算和零点能校正,计算出各反应通道的活化能,进而确定了该反应的主反应通道,其活化能为42.52 kJ/mol。

At the B3LYP/6-311+G(3df, 2p) level, the activation energy was obtained with a zero point energy correction.

对反应各驻点进行了全局优化,经过零点能校正后,计算得出乙烯二聚反应的活化能。

At the target surface impinged by the synthetic jet, the temperature field is symmetric with the lowest filed in center. The heat transfer coefficients also take on the same trends with centrosymmetric waves, which means that the best cooled area is the stagnation.

在冲击靶板上,整个冲击区域呈现出中心温度最低的近似圆形的对称性分布,对流换热系数曲线呈现出中心对称的波峰分布形状,表明自耦合射流驻点区换热最强。

According to calculated results, isoelectronic density graphs of all molecules were plotted, then population analysis were carried out, so the properties of molecules and reaction mechanism were illuminated at microcosmic aspect.

同时得到了各驻点分子的等电子密度三维示意图,进行了布居数分析,从微观上阐明了反应中各分子的性质以及反应的机理。

Furthermore, single-point energy calculations were refined at the QCISD level of theory with the same basis set (6-311++G**). As a result, the singlet reaction of silylene with isothiocyanic acid contain S-atom abstraction channel, N—H inserted channel, and NH abstraction channel, respectively.

又用QCISD/6-311++G**//B3LYP/6-311++G**方法计算了各个驻点的单点能,计算结果表明单重态的硅烯与异硫氰酸的反应有抽提硫、插入、抽提亚氨基的路径。

The flow-field around a hemisphere and a flat-nosed cylinder in the shock tube is simulated numerically by using non-equilibrium Navier-Stokes equations with an air chemical model of 5 species 17 reactions, and the catalytic rate constant of surface materials such as Pt, SIC:, Ni and a flight vehicle materials is determined by using the heat transfer rate of testing in the shock tube and the distribution of heat transfer rate along with the catalytic rate constants.

用5组分17个化学反应Durm-Kang空气化学模型和轴对称热化学非平衡Navier-Stokes方程,对激波管中球头和平头圆柱模型绕流流场进行了数值模拟,给出了驻点热流随催化速率常数变化的分布,并根据激波管实验测量的热流值确定了表面材料Pt、SiO2、Ni和某种飞船材料的催化速率常数,建立了数值分析高焓流动边界层催化特性的软件。

Her determination to staff more outposts in countries that have little U.S.

她下决心要在目前美国影响力甚微的国家多设几个外交人员常驻点,也令人叫绝。

At the B3PW91/6-31+G level of DFT, the geometries of all species (reactants, transition states, and products) were optimized and the vibration frequencies and zero point vibrational energies were calculated.

在B3PW91/6-31+G水平优化了12个不同反应通道上各驻点(反应物、中间体、过渡态和产物)的几何构型,并计算了它们的振动频率和零点振动能。

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歌手leona刘易斯和前率领的飞艇的吉他手吉米页出现巴士转化为基层所涵盖的嘉年华花车,和一双合并为一移交&整个lotta爱&。

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