By applying the hybrid density functional theory coupled with Green's function method, we investigated the conjugation length dependence of the electron conductance by calculating the current-voltage characteristics of the molecular junctions composed of benzene derivatives.
通过结合杂化密度泛函和前线轨道理论与弹性散射格林函数方法研究了三种苯基衍生物分子器件的电子输运性质。基于杂化密度泛函方法计算扩展分子电子结构的基础上，计算了苯基衍生物三分子结的输运性质。
Two methods of measuring conductance are introduced under the condition of molecular flow, namely, with constant volume method and constant pressure method.
在分子流条件下，给出了定容法和恒压法测量流导的方法，分析了测量不确定度。
The mechanical contraction of circle muscularis strips, the contractile response of dispersed smooth muscle cells and the change of 〓 stimulated by Ach were measured, and after incubated with L-NNA (a inhibitor of nitric oxide synthase), Apamin (a blocker of ca〓-activated small conductance K〓 channel), H-89, ODQ and KT5823, those procedures were repeated to identified the molecular mechanism and the intracellular signal pathway of surgical manipulation affecting contraction of small intestinal smooth muscle.
检测实验组和对照组在Ach作用下小肠环行肌条收缩、游离环行平滑肌细胞收缩反应和细胞内〓的变化，然后将标本分别与NO合成抑制剂LNNA、钙活化的K〓通道阻滞剂Apamin、GC抑制剂ODQ、PKA抑制剂H89和PKG抑制剂KT5823等孵育，再重复以上实验，确定手术操作影响平滑肌收缩的分子机制和细胞内信号转导途径。
By the method of electrical conductance, the hydrolysis rate constants of a series of fatty acid esters have been measured in different contents of ethanol solution, and some correlative analyses have been done about the relationship among the molecular structure of a series of fatty acid esters, the conditions of hydrolysis and hydrolysis rate constants.
本文运用电导法测定了不同浓度的乙醇溶液中脂肪酸酯的水解速率常数，并对脂肪酸乙酯类化合物的分子结构、水解条件与k的关系进行了相关分析，并推导得出酯类化合物k与烷基极化效应指数PEI及体系介电常数间的关系表达式：lgk=a+blgPEI+clgε，为研究酯水解机理主要影响因素、预测其k和判断酯的结构提供了一定的理论依据。
By the method of electrical conductance, the hydrolysis rate constants of a series of fatty acid esters have been measured in different contents of ethanol solution, and some correlative analyses have been done about the relationship among the molecular structure of a series of fatty acid esters, the conditions of hydrolysis and hydrolysis rate constants. A good linear relationship among the hydrolysis rate constants, the polarizability effect indices of alkyl group R and dielectric constant is deduced and this behavior can be expressed as 1gk=a+b1gPEI+c1gε.
本文运用电导法测定了不同浓度的乙醇溶液中脂肪酸酯的水解速率常数，并对脂肪酸乙酯类化合物的分子结构、水解条件与k的关系进行了相关分析，并推导得出酯类化合物k与烷基极化效应指数PEI及体系介电常数间的关系表达式：1gk=a+b1gPEI+c1gε，为研究酯水解机理主要影响因素、预测其k和判断酯的结构提供了一定的理论依据。
Current-voltage calculations revealed that the planar molecule was the most conductive. With the increasing torsional angle, the molecular conductance decreased and the perpendicular molecule conductance was the worst.
电流－电压计算表明，平面构象分子的导电性最好；随着扭转角的增加，分子的导电性变差；垂直构象分子的导电性最差。
If the length is beyond this scope, the molecular conductance at Fermi energy is zero. 2.
当分子长度超过此值时，费米面处的电导为零。
Finally, the evaluation of the molecular flow conductance of a laser orifice with a linear vacuum gauge further reduces the uncertainty of the orifice conductance measurement.
提出了采用线性真空计测量激光小孔分子流流导的方法，减小了小孔流导的测量不确定度。
The complex [Pt (DEHS) 2Cl4] has been prepared by extraction method and characterized by elemental analysis, molar conductance, differential thermal and thermogravimetric analysis as well as infrared spectra. The molecular structure of the complex has been determined by four-circle X-ray diffractometer.
用萃取法合成了[Pt（DEHS）2Cl4]，对配合物进行了元素分析，摩尔电导，差热一热重和红外光谱等测试并经X射线单晶结构分析确定了配合物的结构。
When some salt was added to the system, the distribution of the canons on the polymer molecular chain changed the conformation of the molecular equivalent conductance of CEP-1/salt complex system.
无机盐加入后，金属离子在聚合物分子链上的分布改变着冠醚聚合物分子的空间构象，同时也影响聚合物的溶液粘度及其当量电导率。
Extended molecular orbital and coupling parameter between molecule and electrode are the two important factors that influence electronic transport property of the molecule. The extended molecular orbital is the main factor that results in the occurrence of the plateau feature for the conductance curve of the molecular system.
扩展分子轨道和耦合系数是影响分子电输运特性的两个重要因素，扩展分子轨道是导致分子体系电导曲线出现平台特征的主要原因，分子轨道的扩展程度和耦合系数共同影响着电导平台高度。
By using desity functional theory, we have calculated the electronic structure of the molecule, discussed the influence of the temperature on molecule structure. By using the extension of the molecule orbits, we also discussed the influence of molecular electronic structure on molecular wire conductance.
利用密度泛函理论计算了分子的电子结构，讨论了温度对分子结构的影响，并利用轨道的扩展情况讨论了分子电子结构对分子线电导的影响。
The conductance characteristics of the pentacene molecular tap with the metal electrodes has been researched theoretically by considering only one π orbital electron per carbon atom.
在考虑到Pentacene分子的碳原子中的唯一个活跃的π电子的情况下，从理论上研究了两端接有金属电极的Pentacene分子带的Ballistic传导特性。
The outgassing rate and its eguilibrium pressure are measured by the dynamic conductance method at the molecular flow condition and different temperatures for the polypropylene film. Its vacuum characteristics is discussed in this paper.
采用动态流导法，在分子流状态和不同温度下，测量了PP膜的放气率和平衡压强并研究了其放气特性。
Two methods of measuring conductance are introduced under the condition of molecular flow, namely, with constant volume method and constant pressure method. The measurement uncertainty is also analyzed.
在分子流条件下，给出了定容法和恒压法测量流导的方法，分析了测量不确定度。