| 1. | Carbonium ions in solution derive much of their stability from solvation effects and are formed more easily in more polar media .
正碳离子在溶液中由溶剂效应获得更高的稳定性，而且在极性较高的介质中更容易形成。 |
| 2. | Solvent effect on extraction efficiency of chlorogenic acid from the leaves of eucommia ulmodies by ultrasonically assisted extraction technique
超声助提杜仲叶中绿原酸的溶剂效应 |
| 3. | The solvent effects on the nonlinear optical properties of pna molecule are also chiefly studied on the base of time dependent density functional theory
本文还在含时密度泛函理论基础上着重研究了溶剂效应对pna分子的非线性光学性质的影响。 |
| 4. | Abstract : theoretical linear solvation energy relationship ( tlser ) which can be used to predict the relationship between physicochemical property and molecular structures of the solvents has been established
文摘:建立了适合于描述溶剂效应的理论线性溶剂化能相关( tlser )模型。 |
| 5. | When the molecule is solvated in the solution , the solutions have effects on the structure and optical properties of the molecule . the solvent effect is introduced in the third chapter
当分子被溶解在溶剂中时，溶剂将影响分子的几何结构和光学性质，第三章我们介绍了溶剂效应。 |
| 6. | It will be helpful for our finding and synthesizing strong tpa materials . this thesis used density functional theory ( dft ) to optimized the organic molecules , then studied their tpa cross sections , solvent effect and structure - to - property by response theory and few states model
本论文采用密度泛函理论对二苯乙烯系列衍生物分子结构进行优化，然后分别采用响应场方法和少态模型方法对分子的双光子吸收截面、溶剂效应及结构与性质的关系进行了计算与研究。 |
| 7. | So , in order to explain the experimental results and design strong two - photon absorption molecules , solvent effects must be considered . new theoretical models for calculations of solvent effects must be developed . the solvent effects are carried out by the self - consistent reaction field theory with the polarizable continuum model in this work
因此，为了解释实验结果和合成双光子吸收特性强的分子，必须考虑溶剂的影响，这就需要人们发展新的理论模型来计算溶剂效应。 |
| 8. | At the same time , it was indicated that the improved separating properties of membranes that had been marinated in methanol was pertinent to the degree of crystallization of polymer chains in membrane . also the effect of temperature and solvent mixtures on the performance of ca - eva composite membrane was related with reciprocity of polymer chains in membrane
同时，指出ca膜溶剂浸泡后处理效应与膜内大分子链的结晶程度相关，此外，还从膜内大分子链之间的相互作用解释了ca eva复合膜中的溶剂效应和温度效应。 |
| 9. | 3 ) it was found that four newly " d - - d " type molecular materials have the same behavior as " d - - a " type materials in solution . lippert equation confirmed that the dipole moment of the exited - state were much bigger than that in the ground - state . 4 ) the relative intensity was improved when light - emitting molecular materials in p - cyclodextrim solution
3 、发现本文合成的四个“ d - - d ”型分子材料具有与不对称“ d - a ”型分子相同的溶剂效应， lippert方程证实了四个“ d - - d ”分子其激发态偶极矩大于基态偶极矩，从而导致相应荧光发射随溶剂极性增大而红移。 |
