A Role of Quantum Chemistry for Information Chemistry in 21 Century

Abstract

A role of quantum chemistry for the information chemistry in 21 century and a future aspect of quantum chemistry are discussed. Chemists in 21 century will be drowned in the inundation brought by the exponential increase in the amounts of chemical informations, such as structures and properties of compounds, chemical reaction paths and the mechanisms etc.. Therefore, we must ask to computational chemistry to make useful and convenient data base of enormous amounts of chemical informations. Quantum chemistry will provide useful models, concepts, principles for understanding molecule, molecular interaction, chemical reaction mechanism and will greatly contribute to the evolution chemical informationology. Brief history of japanese quantum chemistry is also presented.