Strategic Research Programme: Conceptual Density Functional Theory: Towards a general treatment of chemical reactivity and design of molecules with optimal reactivity properties

Focusses on (1) Development and/or implementation of reactivity indices, (2) Use and study of reactivity indices within the framework of principles, such as Hard and Soft Acids and Bases principle, the principle of maximum hardness or the principle of electronegativity equalization, (3) use of concepts and principles in application in organic and inorganic chemistry, catalysis, biochemistry, and nanochemistry