University of Minnesota Duluth Department of
Chemistry and Biochemistry

Instructional Computational Chemistry

More information about WebMO, plus a working demo, is available on the WebMO home page.

Chapter 1. WebMO Introduction
Chapter 2. Building Molecules
Chapter 3. Running Jobs
Chapter 4. Visualizing Results
Chapters 1-8, Complete User's Guide

WebMO includes a link to the MO Viewer for graphing molecular orbitals in Windows.
If the above link fails, follow the instructions on the WebMO site. That is, login as guest (password guest) and view any molecular orbital job's results (or enter and run a new job yourself, and then view the job results). Then scroll down to the bottom of the Molecular Orbitals results. Click the "Help Viewing MOs" link.

GAMESS documentation is available at Ames Lab.

MOPAC 2007 manual, in html at the MOPAC home site

NWchem documentation

Funding from the University of Minnesota Duluth Chancellor's small grant program and Information Technology Systems and Services Technophyte program is gratefully acknowledged.

Comments to psiders@d.umn.edu