Welcome to the theoretical chemistry group

What does theoretical chemistry do?

　To unravel the true nature of physicochemical phenomena around us, analysis at molecular/atomic level is necessary. These sort of techniques are only made possible with the assist of quantum chemistry. We study the electronic states, structures, dynamics and other physical properties of substances from both experimental and theoretical aspect, then develop new methods on the foundation of quantum theory.

　The theoretical chemistry group is divided into experimental part and computational part, both parts operate independently, but also collaborate in joint research if necessary.

History of theoretical chemistry group

　Theoretical chemistry group is founded at 1949, as one of the four branches in the department of chemistry, along with organic, inorganic and analytical chemistry. The group mainly focused on experimental physical chemistry, then shifted to theoretical study of physicochemical phenomena with Green’s function, and study of crystalline solid structure with laser spectrometry and NMR. At present, we probe the structure, physical properties and reactions of molecule/cluster theoretically and experimentally.