Hückel Determinant Solver
Robert M. Hanson
Department of Chemistry, St. Olaf College, Northfield, MN 55057
Hückel Determinant Solver generates an energy diagram for simple Hückel molecular orbital systems. You can set up the determinant yourself or let the program do it by selecting specific compounds from a list. The program calculates the determinant explicitly, displaying the equation that must be solved first. The iterative capabilities of JavaScript are used to work through the determinant in analytical form. It is very easy to design one’s own determinant simply by selecting a dimension and clicking on an element to change its value between the two possibilities, 0 and 1. Ill-constructed determinants are flagged.
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| Figure. Hückel Determinant Solver. Clicking on a 0 or 1 changes the determinant, allowing for the solving of an infinite variety of systems. |
| Viewing Requirements |
| Microsoft Internet Explorer 5 or higher or Netscape 4.7 or higher; JavaScript enabled. |
| Keywords |
Computational Chemistry, Theoretical Chemistry, MO Theory, Computer Assisted Instruction; Teaching / Learning Aids |
| Abstract |
Hanson, Robert M. J. Chem. Educ. 2002, 79, 1379. |
| History |
Published: November 2002 |
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