原子模型

We have built and developed an atom-bond electron-egativity equalization σπ model on the basis of density functional theory and electronegativity equalization principle.

我们以密度泛函理论和电负性均衡原理为基础，建立和发展了原子-键电负性均衡方法中的σπ模型。

The effects of the fine structure of the ground state levels on the spontaneous emission spectrum of an atom are studied in the first model.

在第一个模型中，研究了原子的基态能级的精细结构对自发辐射谱的影响。

On the basis of the true self-avoid walk model and the principle of renormalization , the authors studied frac.

在生长基元以分子或者原子的微粒子形式在生长环境中进行无规游走的前提下，本文运用真实自回避行走模型，通过重整化群思想来研究晶体生长界面结构的分形行为。

Based on the general Nernst equation, thermodynamics model of the submonolayer equilibrium potential was set up.

基于普通的能斯特方程，建立了单原子层平衡电势的热力学模型。

The famous Frenkel-Kontorova model describes the motion of a harmonic chain in a periodic potential field, and it is one of the simplest models in describing the spatial competition.

著名的Frenkel-Kontorova模型描述的是一条最近邻相互作用的原子链在周期势场中的情况，是最简单的描写尺度竞争的多体系统之一。

The exposition central decorations are a huge atomicstructure model.

博览会的中心饰物是一个巨大的原子结构模型。

Chapter 5 covered the quantum chemistry study of the model molecule (410 atoms) of HupA- Acetylcolinesterase complex at HF/4-31G level with point charge model (1929 point charges) to simulate the environment effect on complex active site.

第五章：用HF/4-31G量子化学方法对单分子状态石杉碱甲、活化状态的石杉碱甲以及石杉碱甲-乙酰胆碱酯酶复合物的模型体系（410原子，1929个点电荷）进行了从头计算研究，指认了对于形成稳定复合物贡献最大的石杉碱甲分子的基团和酶的氨基酸残基，揭示了活性位点中水分子的重要作用。

Constant-temperature molecular dynamics simulations combined with the quenching technique are used to study the melting behaviors of Nin and Pdn(n=13,55,147) clusters.The Gupta form interatomic potential is adopted in the simulation.

本文运用恒温分子动力学方法及淬火技术，模型采用Gupta作用势，研究了包含相同原子数目的Nin和Pdn (n=13，55，147)团簇的熔化特性。

The quantum chemistry ab initio calculation method and semi-empirical interatomic pair potential were combined, and the crystal cell models of the alloyed Austenite in "the empirical electronic theory for solid states and molecules" were consulted. The cohesive energy information of Fe-C-Me Austenite crystal cell was calculated.

利用量子化学从头计算方法和半经验原子间相互作用对势，并参考"固体与分子经验电子理论"中的合金奥氏体的晶胞模型，计算出Fe-C-Me奥氏体晶胞的结合能信息。

Determine with atomic spectrophotometer the plumbic content in sample of lacteal precious capsule, decide look, standard to lay in fluid to make up from sample metage, sample according to mathematical model, equation of regression of standard curve linear and repeat the calculation that measures 5 respects to undertake uncertainty of measurement.

用原子分光光度计测定乳珍胶囊样品中的铅含量，根据数学模型从样品称量、样品定容、标准储备液配制、标准曲线线性回归方程和重复测量5个方面进行测量不确定度的计算。

In the United States, chronic alcoholism and hepatitis C are the most common ones.

在美国，慢性酒精中毒，肝炎是最常见的。

If you have any questions, you can contact me anytime.

如果有任何问题，你可以随时联系我。