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  Home > JCE Print > Journal of Chemical Education > Issues > 2009  > August  >
In the Laboratory
JCE Concept Connections
Computational Molecular Modeling
Xavier Prat-Resina and Bernadette Caldwell
Journal of Chemical Education, Madison, WI 53715-1116
Cover
August 2009
Vol. 86 No. 8
p. 958

Full Text
JCE offers a wealth of materials for teaching and learning chemistry that you can explore at our Web site. In the list below, Xavier Prat-Resina and Bernadette A. Caldwell of the Editorial Staff suggest topical resources that are available through JCE.

Incorporating Computational Molecular Modeling in Organic Chemistry Coursework and Laboratories

The article “Integrating Computational Molecular Modeling into the Undergraduate Organic Chemistry Curriculum” provides example topics, sequencing, and instructional strategies for successfully using molecular modeling to teach organic chemistry. In addition to the references cited in this article, the Journal has published many resources on computational molecular modeling, and on using this approach with organic chemistry. Here is a sampling of what is available.

JCE Feature Column

Molecular Modeling Exercises and Experiments.

JCE Molecule Collections

JCE Featured Molecules are interactive, fully manipulable Jmol versions of molecular structures from articles in the print Journal.

Part of the Chemical Education Digital Library (ChemEdDL), Molecules 360 is a continually growing collection of molecules with many options for modeling, manipulating, and displaying molecular structures.

JCE WebWare Resources for Molecular Modeling

Visualization Tools for Organic Chemistry. Muzyka, J. L.

Mol4D: A Web-Based Computational Chemistry Interface for Educational Purposes. Borkent, H.; van Rooij, J.; Stueker, O.; Brunberg, I.; Fels, G.

A Graphical User Interface for PC GAMESS. Anderson, W. P.

Mage: A Tool for Developing Interactive Instructional Graphics. Pavkovic, S. F.

Mechanisms That Interchange Axial and Equatorial Atoms in Fluxional Processes: Illustration of the Berry Pseudorotation, the Turnstile, and the Lever Mechanisms via Animation of Transition State Normal Vibrational Modes. Cass, M. E.; Hii, K. K.; Rzepa, H. S.

An Animated Interactive Overview of Molecular Symmetry. Cass, M. E.; Rzepa, H. S.; Rzepa, D. R.; Williams, C. K.

3D NormalModes Shockwave: A Web Application for Interactive Visualization and 3D Perception of Vibrational Spectra Data of Molecules. Charistos, N. D.; Tsipis, C. A.; Sigalas, M. P.

JCE Online Chemical Education Resource Shelf

Molecular Modeling Software.

The JCE articles and Web pages cited above have access dates of Jun 2009. All articles from Volume 1 to the current issue are available in full-text PDF at JCE Online. Going to the JCE Previous Issues home page is a convenient way to browse articles by year, month, and page. To search for articles by title or author in all issues of JCE, go to the JCE index.

More Information
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Citation
Prat-Resina, Xavier; Caldwell, Bernadette A. J. Chem. Educ. 2009, 86, 958.
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Keywords
First-Year Undergraduate / General; High School / Introductory Chemistry; Internet / Web-Based Learning; Molecular Modeling; Molecular Properties / Structure
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History
Created:
Last Updated:
6/16/2009
6/26/2009
 Caution! 
Experiments, laboratory exercises, lecture demonstrations, and other descriptions of the use of chemicals, apparatus, instruments, computers, and computer interfaces are presented in the Journal of Chemical Education as illustrative of new or improved ideas or concepts in chemistry instruction and are directed at qualified teachers. Although every effort is made to assure and encourage safe practices and safe use of chemicals, the Journal of Chemical Education cannot assume responsibility for uses made of its published materials. Many chemicals are hazardous. Precautions for the safe use of hazardous chemicals and directions for their proper disposal are described in the Material Safety Data Sheets and on the labels. We strongly urge all those planning to use materials from our pages to make choices and to develop procedures for laboratory and classroom safety in accordance with local needs and situations.
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