Theoretical Chemistry Group - Faculty for Chemistry and Pharmacy

Lu Liu

Lu Liu, M.Sc., PhD student
Room: B5.015
Phone: +49 89 2180-72437
E-Mail:

lu.liu[at]cup.uni-muenchen.de

Research interests:

My research projects are centered on the simulation of experimental NMR signals in light induced photocatalytic reactions using novel quantum chemistry methods. These calculated NMR chemical shifts can serve as a very useful tool to establish universal and essential links to the experimental studies. Herein, an important research aim is to explore the solvent influences on the electronic distribution and molecular properties of selected electron donor acceptor (EDA) complexes, employing our fast linear-scaling ab-initio methods together with explicit solvent models.