In the last fifty years. computational chemistry has made
impressive strides. Huckel NO computations were rapidly succeeded
by semiempirical monodeterminantal Self Consistent Field (SCF) MO
calculations which now give way to high quality ab initio
calculations of the poly-determinantal SCF-MO and Generalized VB
variety. By contrast. no analogous progress has been made in the
area of the qualitative theo~ of chemical bonding. In fact. more
than a half-centu~ after the exposition of HUckel MO theory the
conceptual superstructure of chemist~ is still founded on it. This
is made glaringly evident by the fact that highly sophisticated
computations are still interpreted with primitive HUckel MO theory.
despite the fact that most chemists are well aware of its formal
deficiencies. The current popularity Qf qual1tati. ve MO theory
among experimental i sts is not the resul t ~f fonnai -advances
~Wt, rather the consequence of stimulating application of old MO
theoreti~a. 1 ~oncepts. : . . " This work attemps to improve this
situation by outlining a~t. iJlitative theory of chemical bonding
which operates at a high level of theoretical sophistication. It
was first presented at the NATO Advanced Study Institute on "Topics
in Theoretical Organic Chemistry" in Gargnano. Italy. in June 1979.
and in other international meetings and conferences. colloquia. and
informal gatherings in the period of time follOWing the Gargnano
meeting. It was also presented in a seminar given at the University
of Washington in October 1980.
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