Ab-Initio Calculation of Properties and Reactions in Ground and Excited States (Q04)

该项目侧重于对单体构筑块的结构、性质和反应性进行系统的量子化学研究，以促进软物质的良好定向功能化。研究任务从研究合成顺序可控聚合物和共价有机骨架(COF)的反应到分别研究聚合物-染料结合物和金属聚合物中构筑块的光学和催化性质。

The project focuses on the systematic quantum chemical investigation of structure, properties and reactivity of monomer building blocks in order to contribute to the well-directed functionalization of soft matter. The research tasks range from the investigation of reactions for the synthesis of sequentially controlled polymers and covalent organic frameworks (COFs) to the investigation of optical and catalytic properties of building blocks in polymer-dye-conjugates and metallopolymers, respectively.