일시: 2009년 10월 7일 오후 5:00
장소: 500동 목암홀

-Abstract-
Recent advances in synthetic methods and experimental techniques produced a number of interesting chemical phenomena. However, many of those phenomena are waiting for the detailed explanation for their functioning principles at the molecular level. In particular, to design a new functional material such as catalysts, the functioning mechanism should be clearly understood. To this end, both the theoreticians and experimentalists need to be cooperative. In this talk, I will introduce computational approaches in collaboration with experimental groups (though a few examples are purely theoretical) to understand molecular functions in several subjects. Depending on the time permitted, the following subjects will be included:

(1) Fluorescent sensors
(2) Electrogenerated or photogenerated luminescence and electrochromic behavior
(3) Catalytic chemical reaction mechanism
(4) Electron and proton transfer in photosystem
(5) Nanoribbon: Band structure and its application
(6) Others