Welcome to the CAChe Molecular Modeling Tutorials

Department of Chemistry

University of Pittsburgh at Johnstown

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Ferrocene

Modeling Exercise # 2

This exercise will give you an opportunity to build a molecule and explore some of its properties.  You will build a molecule of water and optimize the geometry using molecular mechanics.  Then you will measure the bond length and bond angle and explore ways to visualize the molecule.

The easiest way to complete the exercise is to keep both your web browser and the CAChe Workspace open.  Move back and forth between the two as you complete the tasks.

This exercise assumes that you are familiar with the CAChe workspace.  If you need a review check the tutorial modules listed below. Each one opens in a separate window.  When you have finished the the Tool Bar module, close the window and return to this site.

bullet Starting CAChe
bullet Explore the features of the User Interface -- there are six components
bulletThe Application Window
bulletThe Document Window (think of it as your workspace)
bulletThe Menu Bar
bulletThe Tool Palette
bulletThe Style Bar
bulletThe Tool Bar
bulletTo check out the Flash Tutorial for the User Interface Click Here.

There is a student worksheet for this exercise -- a MSWord document.  Download it here.  You can fill it in using Word and print out the final copy to turn in.  Alternatively, print the worksheet, and fill in the blanks with pen or pencil.

The exercise has four tasks.  Follow the links below. At the end of the first task there you will find a link that leads you to the next one.  Start with Task 1. The link at the end of the last task will bring you back here.

bulletTask 1: Build Water, H2O
bulletTask 2: Optimize the geometry using mechanics
bulletTask 3: Explore the various ways to visualize molecules in CAChe
bulletTask 4: Measure the bond lengths and angle in water

There is a student worksheet for this exercise -- a MSWord document.  You can fill it in using Word and print out the final copy to turn in.  Alternatively, print the worksheet, and fill in the blanks with pen or pencil.

Total Time: 15 to 20 minutes

Due Date: The assignment is due around October 15.

Final Report: Complete a brief handout.