Based on the chemical topology, a new method is developed which can be used to study the structure-property relationship of molecules containing heteroatoms. 根据分子拓扑学原理,用染色因子标识原子性质的差异,发展了一种适用于含杂原子分子体系结构性能关系研究的新方法。
Study on the Relationship Between the Density of Mercaptan and Thioether and Their Molecular Structure by Chemical Topology 硫醇和硫醚结构与密度关系的拓扑化学
Chemical Reaction Topology Theory ( I) Reaction Path Topology Space 化学反应的拓扑理论Ⅰ&反应途径的拓扑空间
Based on the chemical topology and characteristics of molecular structure, the quantitative relation between critical volume and molecular structure of alkenes is studied, and a new method is developed which can be used to predict the critical volumes of alkenes from the information of molecular structure. 根据分子拓扑学原理,将基团贡献法与拓扑方法有机地结合在一起,通过烯烃临界体积与其分子结构之间的定量关系,发展一种直接根据分子结构信息预测烯烃临界体积的方法。
It is on the basis of the chemical behavior of topology that leads to the good and wide application of this method. 研究显示正是基于拓扑化学行为才有本文方法良好和较广的应用。
Due to their crystal chemical properties and unique internal structures, Zeolite topology molecular sieve has selective adsorption, ion exchange, catalysis, acid-resistant and radiation-resistant performance. 由于类沸石具有独特的内部结构和晶体化学性质,使其具有良好的选择吸附性、离子交换性、催化性、耐酸和耐辐射等性能。
It has been reported that the introducing organic groups with specific functionality into MOFs will not only manipulate and improve the pore properties of the modified structures, but also bring some new physical and chemical properties to the new compounds, while the parent structure topology is maintained. 研究表明,当在体系中选择性地引入有机功能基团,不仅可以保持原有体系的拓扑结构不变,同时还可以调控和改善原有的孔洞性质,并引入新的物理和化学性能。