Some Downloads (perhaps for Teachers)

For immediate trials MathCad owners, version 6 or higher, can download the next three programs:
HMO for Benzene, (see output window )
HMO for Pentalene.
Extended Hückel Molecular Orbital calculations are a specialty of our Chemistry Department's group of Professor Gion Calzaferri. You will find downloadable programs, FORTRAN sources, an excellent manual and many references in this link. If you want to try your hand at a simple example, use MathCad coded, transparent examples of H₂O (old Icon8) or H₂O with new Iconc from Calzaferri (see preview ). If you click on either of the two links the file will be opened (if you wish), MathCad started on your computer, and the program executed. You are then invited to input your own data. With [File] [Exit] you can return to the Web or to your operating system. Notice: You have to properly configure your web browser for this to succeed.

A short, simple, introduction to 'Molecular Orbital Theory' on the Web can be found at Queen Mary University London.

For script downloads go back