Using the tight binding molecular dynamics model (TBMD), Na cluster collision processes have been studied at the different initial conditions.
利用紧束缚模型，通过对不同初始条件下的碱金属团簇的碰撞研究，得到形成大分子团簇的可能性。
Basic single-chain polypeptide that inhibits numerous serine proteases by binding to the active site of the enzyme, forming tight complexes.
基本的单链多肽，通过与酶的活性位点紧密结合形成复合物，抑制大多数的丝氨酸蛋白酶。
The indirect interaction between adatoms are studied by using tight-binding model and one-electron theory.
本文用紧束缚模型和单电子理论研究吸附原子间的间接相互作用能。
Then, the diagonal components of Green function of single particle of the system which is the tight-binding model under influence of the external electric field are derived.
其次，我们运用单个粒子格林函数的形式来计算系统的位置对角元的格林函数，此系统是外加电场驱动下的紧束缚模型。
As conducting polymers belong to the system of wide energy band, the SSH model in a state of tight-binding approximation is too crude.
由于导电高分子是宽能带体系；对于该体系来说，紧束缚近似下的SSH模型是过于粗糙的。
The adsorption properties of hydrogen on the supported-metal surfaces are investigated using the Green function method within the framework of tight-binding approximation.
应用格林函数方法在紧束缚近似下研究了氢在担载金属表面的吸附性质。
Experimental results are discussed with the tight-binding model.
利用紧束缚模型，讨论了实验结果。
Firstly, the influence of point defects on the density of states and conductance for metallic carbon nanotubes is studied based on the tight-binding model.
首先，基于紧束缚模型研究了非磁性点缺陷对金属型单壁碳纳米管态密度和电导的影响。
Within a two-band tight-binding model driven by a dc-ac electric field, we investigate the effect of external noise on the transport property of electrons in superlattices.
运用直交流电场驱动下的双带紧束缚模型，研究了噪声对超晶格中电子输运性质的影响。
On the basis of the tight-binding approach in the energy-band theory, the EHMO crystal orbit program to be used in a microcomputer was compiled in the FORTRAN language.
根据能带理论中紧束缚近似方法，用FORTRAN语言编制了适于微机使用的EHMO晶体轨道程序。
The band structure model of commensurate double-walled carbon nanotube (DWNT) was built by using tight-binding Hamiltonian with curvature effect included.
采用紧束缚能带理论，利用所提出的考虑卷曲效应的紧束缚能量哈密顿量，建立了公度双壁碳纳米管（DWNT）的能带结构模型；
The paper investigates the time evolution of a Gaussian wave packet in a tight-binding ring model with uniform nearest-neighbor hopping integral.
探讨了一维均匀紧束缚环模型中高斯波包的时间演化规律。
The tight-binding approximation is employed to model the substrates.
用紧束缚模型描述衬底。
Future global population growth, arable land and water resources and climate anomalies, such as binding factors, long-term global food supply and demand will be tight.
今后受全球人口增长、耕地和水资源约束以及气候异常等因素影响，全球粮食供求将长期趋紧。
Light-excited C_ (60) is studied by electron-lattice coupling tight-binding model.
用电子一晶格耦合的紧束缚模型研究了光激发下的C_60子。
Light-excited C_ (60) is studied by electron-lattice coupling tight-binding model.
用电子一晶格耦合的紧束缚模型研究了光激发下的C_60子。
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