You can set up the determinant yourself or let the program do it by selecting specific compounds from the list.
The rules for setting up the determinant are very simple:
- Construct an n-dimensional determinant, where n is the number of p orbitals from carbon atoms in the system.
- Place 'x' along the diagonal.
- Place '1' everywhere two carbons are adjacent. For example, if carbons 2 and 3 are adjacent, then put a 1 at (2,3) and at (3,2).
- Place '0' everywhere else.