Eðlisefnafræði 4, Physical Chemistry 4, University of Iceland

Computer lab exercises

Teacher: Hannes Jónsson

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Lab1: Introduction to classical dynamics of chemical reactions

Lab2: Analysis of the vibration of molecules - normal modes

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General info for the computer lab exercises:

Instructions for Mathematica based labs (labs 1 - 3) - Click on the lab you want to work on (for example, "partA" in Lab 1). A text file appears with the assignment. Place the cursor on the document in the browser window and then choose "Edit" and "Select All" from the browser's menu bar at the top. Then, open a new, blank Mathematica window and paste into the window (select "Edit" and then "Paste" from the top menu bar for Mathematica). Click "yes" on the pop-up window. A formatted Mathematica handout should then appear. Save it in a folder on your disk partition. Follow the instructions and answer the questions raised in the handout. Make sure you frequently save your file, i.e. update the version saved in disk. Mathematica does crash at times and it is then important to have most of your work saved on the hard disk. At the end of the exercise, your file should contain all the calculations asked for and answers to all the questions raised in the handout. This will be your report from the lab.

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A note on the Icelandic keyboard - The following special characters are not marked on the keyboard, but are frequently used: