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Volume 1D Number 2

In This Issue

Bonding Theory: The Werner-Jorgensen Controversy
 
David M. Whisnant

Enriching Quantum Chemistry with Mathcad
 
Frank Rioux


About This Issue

John W. Moore and Jon L. Holmes
University of Wisconsin-Madison, Madison, WI 53706-1396


Note:
This issue is out of print.


How to Use These Programs

Bonding Theory/The Werner-Jorgensen Controversy is designed to be used in general chemistry, or in any course where descriptive inorganic chemistry is included. It requires some background in bonding theory (ionic versus covalent bonding) but does not require that a student have any background in the structures of coordination compounds. Indeed structural coordination chemistry can be developed primarily by the program, minimizing the time that needs to be spent lecturing on the subject. This software would also fit very well in a course on history of chemistry, to illustrate the development of bonding theories and structural chemistry of coordination compounds, or to illustrate how new scientific ideas supplant the old.

Enriching Quantum Chemistry with Mathcad is designed to be used in physical chemistry or in a separate course on quantum chemistry. It is an electronic textbook of quantum chemistry in which the equations and graphs are live. Changing a parameter or equation causes all calculations to be redone. The new results are displayed either as a table of numbers or as a graph or both. The opportunities for exploration and enhanced understanding of the meaning of quantum chemical equations are nearly infinite. This is a preview of what the textbook of the future might look like.

Hardware and Software Requirements

Series D of JCE: Software requires Microsoft Windows version 3.0 or later and associated hardware as defined by Microsoft. We recommend an IBM-PC/AT, PS/2, or compatible computer with a 80386 or higher processor, a minimum of 4 MB of memory, a hard disk, one floppy disk drive to install the software, a mouse, and a Windows-compatible graphics card, such as an IBM VGA or a Super VGA adapter with a compatible color monitor. DOS version 5.0 or later is highly recommended.

In addition to the hardware and software recommended above, Enriching Quantum Chemistry with Mathcad requires Mathcad version 3.1 or greater (not supplied). It also benefits greatly from the presence of a math coprocessor, which is highly recommended.

First Published: January 1994

Citation: Moore, J. W.; Holmes, J. L. About This Issue J. Chem. Educ. Software 1D2

Keywords:


Editorial Commentary
A Window into the Future
 
John W. Moore


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Last Updated: March 19, 2001
Created: December 10, 1996
Created by: J.L. Holmes
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