Huckel MO Calculation


This tutorial will walk you through the utilization of the CAChe Extended Huckel MO program for the purpose of generating molecular orbitals of your molecules.

This tutorial consists of two parts:


Main CAChe Molecular Modeling Page

Overview of the CAChe screen
Building a Ligand
Building a Metal Complex
Molecular Mechanics Energy Minimization
Huckel MO Calculation
ZINDO Calculation

This is a series of molecular modeling tutorials developed by Karen J. Brewer for use in the Chemistry Department at Virginia Tech to assist students with utilization of the CAChe molecular modeling package version 3.9 on a SGI workstation using IBM clients Satellite for Windows 95 version 3.0.
This page is maintained by Karen J. Brewer