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University of Alaska Fairbanks
Department of Chemistry and Biochemistry

Updated 10-10-2018
 

A Pi molecular orbital of PABA, and hyperlink to login page
To login, click this MO graphic.

This site provides quick access to the MOPAC semi-empirical quantum mechanics program via WebMO, a graphical web-based interface for constructing molecular models, carrying out calculations, and viewing calculation results. Please note: the main departmental server for research and advanced educational use is at another site: that one runs Gaussian09 which offers a variety of ab initio and density functional theory methods.
Login. The standard login account has username "guest", password "webmo". Your class may have other usernames assigned - check with your TA or professor. Jobs are limited to 10 minutes on this account, although most Chem 105 jobs will complete in seconds.
Chem 105 Experiment 5 YouTube videos showing an example molecule
   Parts I and II. Lewis formula. Testing VSEPR geometry prediction
   Part IV. Investigating resonance formulas
   Part V. Displaying p and s molecular orbitals

NEW! VSEPR geometry table PDF

Lookup, Import by Name. This cool WebMO feature allows you to enter the name of a substance - such as "phosphorus acid" or "tetracycline" - and get the structure back in seconds. To be displayed, the compound must be in the NIH Pubchem database - currently containing 94 million compounds!
For more information, see following links:
WebMO  https://www.webmo.net
MOPAC  http://openmopac.net
Gaussian https://www.gaussian.com
Contact: jwkeller /at/ alaska.edu