To assist the computational study of chemical reactions, this paper presents a new visualization method for elec tronic structures and discusses how to use it in the search for the atomic configurations of transition states. The simulated reaction of butadiene and ethylene (C 4H6 + C2H4) is presented in the accompanying video tape, in which the electron density and interacting fron tier orbitals are displayed as semitransparent multiple surfaces along the intrinsic reaction coordinate.
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