It is shown that the procedures for constructing the symmetry orbitals proposed in preceding papers can be extended and simplified, and may be employed to construct the symmetry orbitals in very large molecular systems by partitioning the atomic orbitals into many sets.
|Number of pages
|Journal of Molecular Structure: THEOCHEM
|Published - Jun 20 1991
ASJC Scopus subject areas
- Condensed Matter Physics
- Physical and Theoretical Chemistry