Choosing a Web browser for CCPS

WebMO Pro is the interface used in support of the computational chemistry laboratory. WebMO is primarily a Java-based web tool, which should be accessible by most modern web browsers. If you are using computers that are particularly old, it might be possible that you will not be able to access the server! If this is the case, contact Bob Gotwals at NCSSM, we'll try to provide some assistance! If you are using a Windows PC computer, you should be able to access the server from all browsers, including Internet Explorer (IE). However, we recommend Mozilla Firefox for both PCs and Macintosh computers. Download Mozilla Firefox

NOTE FOR WINDOWS Internet Explorer users! It is sometimes the case that animations do not work in IE on Windows machines. You should try to upgrade your Java Virtual Machine to version 1.5.0. To do this, go to the Java download page, scroll down to "JDK 5.0 Update 11", and accept the license agreement. Install this upgrade (I prefer to use the offline version, click on that, run the installer), and reboot your machine.

For Macintosh computers running OS X, we recommend either Firefox or Safari as web browsers. Microsoft IE for Macintosh does not render the job manager correctly. Download Safari from Apple




Support Material





Readings, Activities and Labs

"Explorations in Computational Chemistry", a 15-hour distance learning opportunity for teachers and students, Thursdays, 3:45 - 5:15 pm, Feb 1, 2007 - April 5, 2007. To get more information, visit the Distance Learning Web site at NCSSM.

Recommended Reading

A Chemistry Educator's Guide to Molecular Modeling
Book

Authors: Robert R. Gotwals, Jr. and Shawn C. Sendlinger

NOTE! The chapters listed below are PRE-PUBLICATION (are still in editing) and as such may not be distributed for any reason. The contents may ONLY be used for personal use.

Preface

Section I: Technologies

Ch. 1: Intro to Computational Science
Ch. 2: Intro to Molecular Modeling
Ch. 3: A Computational Analogy
Ch. 4: Basis Sets
Ch. 5: Mathematics
Ch. 6: Molecular Mechanics
Ch. 7: Ab Initio Methods
Ch. 8: Semi-Empirical Methods
Ch. 9: Density Functional Theory (in press)

Section II: Techniques

Ch. 10: Basic Molecular Modeling
Ch. 11: Single Point Energies and Geometry Optimizations
Ch. 12: Calculating Molecular Properties (in press)
Ch. 13: Calculating IR and UV/Vis Spectra
Ch. 14: Transition States (in press)
Ch. 15: Thermochemistry
Ch. 16: Applications to Chemistry, Environmental Science and Medicine (in press)

Section III: Tools

Ch. 17: Overview of Computational Chemistry Software
Ch. 18: Gaussian
Ch. 19: GAMESS
Ch. 20: MOPAC
Ch. 21: Tinker (in press)
Ch. 22: Web-based Tools
Ch. 23: Integrating Computational Chemistry into existing activities (in press)
Ch. 24: Computational Chemistry Research Projects (in press)
Ch. 9: Density Functional Theory (in press)


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