has subject area 0306 Physical Chemistry (incl. Structural) (FoR) 0307 Theoretical and Computational Chemistry (FoR)
keywords Chemistry Chemistry, Physical Conceptual density-functional theory DENSITY-FUNCTIONAL THEORY ELECTROPHILICITY INDEX ELIMINATION-REACTIONS ENERGY FRONTIER-ELECTRON THEORY Fukui function GENERAL CHEMICAL-REACTIONS INTRINSIC NUCLEOFUGALITY SCALE Leaving group MODEL Nucleofugality POTENTIALS Physical Sciences REACTIVITY INDICATOR Science & Technology