Molecular Mechanics Investigation of the Intra molecular Hydrogen Bond Stability of Bile Acids 胆汁酸分子内氢键稳定性的分子力学研究
A Basic program Used for Calculating Molecular Formula and Double Bond Equivalents by Molecular Compostions 用BASIC程序从分子组成计算分子式与不饱和度
PAATEA gelator self-assembles into molecular gel by hydrogen bond, ionomer or metal coordination, which was proved by the FT-IR and theoretics analysis. IR及理论分析结果表明,该凝胶因子是通过氢键、离子聚集体或金属配位作用聚集、自我组装形成凝胶的。
Molecular Orbital Theory of Bond Order and Valency 键级和化合价的分子轨道理论
Studies on Molecular Aromaticity by Means of Natural Bond Orbitals 自然键轨道方法研究分子的芳香性
On selecting the solvent, its molecular diameter and ability to form hydrogen bond should be considered. 实验发现,溶剂的影响与其形成氢键能力及分子直径大小有关;
It generates extremely high temperature and pressure during the violent collapse of cavities, which destroys the molecular bond of water and forms free radicals. 水力空化发生时空化泡溃灭产生的高温、高压等极端环境,可以使水分子键裂解,产生自由基。
Molecular recognition and molecular self-assembly through the non-covalent bond is the two important parts of supramolecular chemistry. 基于非共价相互作用的分子识别和自组装是超分子化学研究的两个重要的领域。
The current data show that the initial reactions produce lower molecular weight products in which bond cleavage is also promoted by nitrogen occurrence in the molecules. 本文的数据表明:初次反应生成分子量较低的产物,这些分子中氮的存在促进了键的断裂。
The influences of molecular bond length and bond angle on molecular volume were also analyzed. Those provide theoretical basis for using what kind of membrane and solvent for membrane separation of isoflavone. 并且分析键长和键角对体积的影响,从而对于采用何种膜、何种溶剂对大豆异黄酮进行膜分离提供了理论依据。
Estimating the Heat of Combustion of Gaseous Alkanes from the Information of Molecular Structure with the Group Bond Contribution Method 应用分子结构信息计算气态烷烃的燃烧热
Novel Molecular Bond Connectivity Index and Its Application 分子键连接性指数及其应用
The Bonding Energy Criterion of Molecular Orbital Bond Character and Bond Strength between Atoms 分子轨道成键性质及原子间化学键强度的成键能判据
A New Method for Predicting the Densities of Alkanes from the Information of Molecular Structure& Group Bond Contribution Method 预测烷烃密度的新方法&基团键贡献法
The organics with small molecular weight and unsaturated double bond content are always the main precursors of disinfection by-product, which leads to the higher trihalomethane formation with the Yichun humic acid than the Songhuajiang and commercial humic acid after chlorine disinfection. 小分子质量和含不饱和双键的有机物通常是消毒副产物的主要前体物,因而伊春腐殖酸加氯消毒后的三卤甲烷生成量比松花江腐殖酸和商品腐殖酸高。
It was explored that the effect of carbon fiber content, surface oxidation treatment of carbon fiber, amount of oxygen radical on carbon fiber surface, and viscosity molecular weight on Tensile Strength and bond strength. 研究了涂层中碳纤维的含量,碳纤维表面氧化处理方法、碳纤维表面含氧基团的多少,呋喃树脂粘均分子量的大小等与TiB2阴极涂层的抗拉强度、粘结强度等性能的关系。
The Tree Graph Expression of Molecular Moments and the Evaluation of π Bond Grade 分子矩树图表示及π-键级的估算
Calculation of Molecular Dipole Moments by Vector Sum of Bond Dipole Moments 以键矩矢量和法计算分子偶极矩
An attempt to calculate ionic molecular bond energy by m.0.theory 用分子轨道理论计算离子性分子键能的尝试
Molecular Orbital Theory Studies on Bond Energy I. Theoretic Equation 键能的分子轨道理论研究Ⅰ.理论公式
A Discussion on Calculating Method of Molecular Bond Order 关于分子键级计算方法的讨论
Jean-Marie Lehn has defined supramolecular chemistry as the chemistry of molecular assemblies and of the intermolecular bond. Lehn将超分子化学定义为分子组装和分子间键合的化学。
The analysis of the molecular orbital bond character on lower energy levels in diatomic molecules 双原子分子低能级分子轨道成键性质分析
Molecular model of the hydrogen bond has been weakened; the addition of metal ion catalyst effect of viscosity reduction can be achieved. 分子模型中的氢键受到了削弱,因此加入金属离子催化剂可以达到降黏的效果。
The main contents contain adsorption energy, adsorption position, change of CO molecular bond length, DOS and PDOS of CO molecular before and after adsorption. 主要内容有:吸附能和吸附位置、CO分子吸附前后CO分子键长变化以及吸附前后CO电子态密度及分波态密度。
However, the cellulose has molecular weight, readily soluble in common solvents, strength inter molecular hydrogen bond, difficultly to decompose, these features hinder its apply research. 然而纤维素本身固有的分子量高、不易溶于一般溶剂、分子间氢键强度大、难分解这些特性阻碍了其应用研究。
And we also determined the oxidative state of BEDT-TTF in the obtained molecular conductors through bond lengths analysis and Raman spectra. 同时本论文通过结构分析和光谱手段,确定了新晶体中给体分子的氧化态。
Using ultrashort pulses of infrared laser can make a strong bond breaking of molecular weak bond remains unchanged, in order to achieve bond-selective dissociation of molecules. 使用超短红外脉冲激光可以使分子的强键断裂而弱键保持不变,从而实现分子的选键解离。
The molecular bond in the surface of PC treated by NaOH is ruptured, the surface roughness and surface area is increased, the transparence is lowered by8%. NaOH处理的PC片表面部分分子键断裂,表面粗糙度和表面积增加,透过率下降约8%,粘附性能变好。