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Jon L. Holmes University of Wisconsin–Madison Madison, WI 53706
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Molecular Modeling
Guide, and WWW Site Review would also like to hear about chemistry textbooks and software, equipment, and WWW sites, respectively. Please consult http://jchemed.chem.wisc.edu/ JCEWWW/Features/ to learn more about these resources at JCE Online.
Potential Energy
Molecular modeling has trickled down from the realm of pharmaceutical and research laboratories into the realm of undergraduate chemistry instruction. It has opened avenues for the visualization of chemical concepts that previously were difficult or impossible to convey. I am sure that many of you have developed exercises using the various molecular modeling tools. It is the desire of this Journal to become an avenue for you to share these exercises among your colleagues. It is to this end that Ron Starkey has agreed to edit such a column and to publish not only the description of such exercises, but also the software documents they use. The WWW is the obvious medium to distribute this combination and so accepted submissions will appear online as a feature of JCE Internet. Molecular Modeling Exercises and Experiments is the latest feature column of JCE Internet, joining Conceptual Questions and Challenge Problems, Hal’s Picks, and Mathcad in the Chemistry Curriculum. JCE Internet continues to seek submissions in these areas of interest and submissions of general interest. If you have developed materials and would like to submit them, please visit our Guide to Submissions page at http:// jchemed.chem.wisc.edu/JCEWWW/Authors/ for more information. The Chemical Education Resource Shelf, Equipment Buyers
Sequence Typical molecular modeling exercise: finding conformation energies.
Molecular Modeling Exercises and Experiments: Mission Statement We are seeking in this JCE Internet feature column to publish molecular modeling exercises and experiments that have been used successfully in undergraduate instruction. The exercises will be published on JCE Internet at the address: http://jchemed.chem.wisc.edu/JCEWWW/Columns/ModelExer/ An abstract of published submissions will appear in print in the Journal of Chemical Education. Acceptable exercises could be used in either a chemistry laboratory or a chemistry computer laboratory. The exercise could cover any area of chemistry, but should be limited to undergraduate instructional applications. We envision that most of the exercises/experiments will utilize one of the popular instructional molecular modeling software programs (e.g. HyperChem, Spartan, CAChe, PC Model). Exercises that are specific to a particular modeling program are acceptable, but those usable with any modeling program are preferred. Ideally the exercises/experiments will be of the type where the "correct" answer is not obvious so that the student must discover the solution or provide an explanation. The goal of the exercises should not be specifically to learn molecular modeling, but to use modeling to learn chemistry. Of course, some concepts of modeling have to be addressed in order for the student to effectively utilize molecular modeling (e.g., the distinc-
tion between a local and a global energy minimum conformation). We are looking for exercises that go beyond those already published by the molecular modeling software distributors. Each exercise should have a specific goal or objective. Fairly detailed procedures for the exercise should be included. All submissions should indicate the molecular modeling software system (name, version, computer platform and operating system) utilized for the exercise and the chemistry course(s) in which the exercise has been used. Ideally procedures and instructions should not be specific to one particular modeling software system and/or computer platform, but should be general so that they could apply to more than one system. Submissions will be peer reviewed and should be in three parts: a. A brief abstract b. The instructions and procedure to be used by the student c. Instructor notes that discuss the objective of the exercise, the results, the selection of the computational method(s), and potential pitfalls and problems.
Specific guidelines for submission of exercises will be available at the JCE Internet ModelExer site.
Feature Editor: Ronald Starkey, Department of Chemistry, University of Wisconsin–Green Bay, Green Bay, WI 54311-7001 Phone: 920/465-2264, or 920/465-2371 Email:
[email protected] JChemEd.chem.wisc.edu • Vol. 76 No. 6 June 1999 • Journal of Chemical Education
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Journal of Chemical Education • Vol. 76 No. 6 June 1999 • JChemEd.chem.wisc.edu
