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- The polarizable continuum model is applied in the calculations in solution. 溶液中的计算采用可极化连续介质模型.
- Simulation of the solvent effects is carried out by the self-consistent reaction field theory with the polarizable continuum model. 利用含时的密度泛函理论来计算分子的非线性光学性质,而溶剂效应则通过自洽响应场方法的极化连续模型来模拟。
- And the presence of the solvent (H_2O) considered as polarizable continuum model are studied in detail in both of the reaction mechanism and the energy barrier. 第二个步骤是对产物的四面体中间物的分解。2)溶剂效应降低了反应过程所有结构的总能量，却增大了反应的势垒。
- The long range interaction simulated by polarizable continuum model, the hydrogen bonding interaction, and the whole interaction between the solute and the medium were separately investigated. 分别研究了由极化连续模型模拟的溶剂和溶质分子的长程相互作用，溶剂和溶质分子的氢键作用，以及溶剂和溶质分子的整体作用对分子结构和性质的影响。
- Conductor-like polarizable continuum model 导体极化连续模型
- Polarized continuum model 极化统一模型
- polarized continuum model(PCM) 极化连续介质模型（PCM）
- Keywords aminolysis;phenyl formate;solvent effect;polarizable continuum model; 氨解反应;甲酸苯酯;溶剂效应;极化连续模型;
- The theoretical and applied research results for mesomechanics, theories of strain gradient, polar continuum mechanics, nonlocal continuum mechanics and basic laws are discussed one by one in the present paper. 分别论述了细观力学、应变梯度理论、极性连续统力学、非局部连续统力学及基本定律和原理在理论和应用方面的研究成果。
- In this paper, we present a general continuum model to study the LWL optical phonons in single-walled BN nanotubes in many ways. 本文采用一个普遍的连续化模型对单壁硼氮纳米管中的长波光学声子进行了多方面的研究。
- Based on the drift diffusion equations as an example of a continuum model and particle in cell/Monte Carlo collision kinetic model,a plasma processing model is proposed. 在漂流 扩散方程的连续流模型和单元粒子 蒙特卡罗碰撞动力学模型的基础上 ,提出了一个等离子体工艺模型。
- According to anisotropic theory,we constructed a continuum model and analysed the linear elastic and non-linear properties of the fiber bundle that was not twisted. 根据各向异性弹性理论,构建连续体模型,应用弹性力学方法,分析了非加捻纤维束线弹性和非线性性能;
- Based on the equivalent continuum model and the characteristics of FEM utilized, the method of latent complex-material element was firstly introduced to simulate the faultage. 在拟连续介质模型的基础上，充分利用有限元法的特点，首次提出用隐式复合材料单元法对主要断层进行模拟。
- The two systems of government are polar opposites. 这两种政体正好相反。
- The issue has polarized congress. 该争论于国会分裂。
- Public opinion has polarized on this issue. 在这个问题上公众的意见已两极分化。
- Most insect do not live in polar region. 大多数的昆虫不在极地地区生存。
- The continuum of the corona is essentially radially polarized. 日冕连续区基本上是经向偏振。
- Showing no optical activity in polarized light. 无旋光的极化光下无光学反应的
- Electromechanical Wave Continuum Model for Power System 电力系统的连续体系机电波模型
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- 深远海浮式风电平台 - deep-sea floating wind power platform
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- 京雄高速公路 - Beijing-Xiongan expressway
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- 农业及相关产业增加值 - the added value of agriculture and related industries
