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The following links will take you to pages with activities that incorporate CAChe into general chemistry courses. Some of the links represent completed products that have been tested in our classrooms. Others are still works in progress. We also have included links to sites elsewhere that also include activities using computational chemistry and molecular visualization.
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Dr. Ping Furlan at the University of Pittsburgh-Titusville has developed a CAChe activity that enhances an existing experiment in the general chemistry 2 laboratory. Students currently synthesize aspirin from oil of wintergreen and measure the IR spectrum of the starting material, intermediate and final product. In the CAChe activity, they generate the IR spectrum of acetic acid using several computational methods to determine the method which gives results closest to experimental in the most reasonable time frame. They then use this method to compute the IR spectrum of oil of wintergreen, the starting material, the intermediate salicylic acid and aspirin. Using their computed spectra they can make reasonable assignments in the experimental spectra. Here she describes the CAChe activity and provides the Student Activity Sheet. |
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The Student Class Activity can be viewed by clicking here.
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Click here to view the student activity sheet.
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Discussion of this course activity (Click here to view.)
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Dr. Ping Furlan at the University of Pittsburgh-Titusville has developed a CAChe exercise based on Brian W. Pfennig and Richard L. Frock's paper, "The Use of Molecular Modeling and VSEPR Theory in the undergraduate Curriculum to Predict the Three-Dimensional Structure of Molecules". The lab activity is entitled: Predict Molecular Geometry, Partial Charges, Bond Angles, and Dipole Moments Using CAChe-MOPAC AM1 Procedure for Simple Molecules and Ions Encountered in General Chemistry Class and also includes a worksheet for students to complete after finsihing the lab exercise. |
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The Student Class Activity can be viewed by clicking here.
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Click here to view the student activity sheet.
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Dr. Ping Furlan at the University of Pittsburgh-Titusville has developed another CAChe exercise that is entitled: "Predicting the Fuel Values of Common Fuels Using CAChe - ProjectLeader." In this exercise. students will use CAChe-ProjectLeader to predict and compare the fuel values of straight chain hydrocarbons (n-CnH2n+2) and straight chain primary alcohols (1-CnH2n+1OH), and investigate the effect of increasing the number of carbon atoms on the fuel value. Then, they will verify the reliability of your predictions using the experimental fuel values of these fuels. |
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The Student Class Activity can be viewed by clicking here.
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Click here to view the student activity sheet.
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Click here to access the Instructor Information Sheet.
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During the spring of 2004 we tested some of the activities in Teaching with CAChe and noted adaptations for version 6.1.
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Course activities developed at other institutions:
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From molecules.org: Click Here to browse
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From the molecular modeling workshop at the Georgia State University: Click Here to browse
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