The StatMech program calculates thermodynamic quantities from spectroscopic data that you provide. It comes in two versions - a windows version (written in Visual Basic v. 6), and a multiplatform Maple-based program that is functionally equivalent and doesn't require knowledge of Maple to run. These programs are provided without any guarantees or warranties.

Basic instructions are given below. If you find any bugs or have any suggestions, please send me an email at dharr@uvic.ca

Download Windows program - Download the self-extracting .exe file to a temporary directory, double-click on it to extract the files. To install double-click on setup.exe and follow the instructions.

Download Maple program - Download the Maple worksheet (You browser may think this is an XML file; if so right-click and Save As StatMech.mw). If you are a Maple user, you may use the worksheet directly. Otherwise, download Maple Player for your operating system (Windows 32/64 bit, Linux 32/64 bit, Macintosh), and use it to load the worksheet.

Program Notes

The program runs in a fairly obvious way. If it won't accept values you type in, there is likely a good reason for it (e.g. atoms don't have rotational constants). For the Maple version, hit enter after a number to trigger an update.

• Thermodynamic energy functions calculated are all relative to zero energy at T = 0 K.
• The formulas used for translational and rotational contributions are the usual ones, which break down for very low temperatures.
• For spherical top molecules, enter the same rotational constant three times; for symmetric top molecules enter one of the rotational constants twice.
• The program does not presently handle internal rotations, and treats these motions as normal vibrations.
• Clicking the print button (if present) prints to the default printer in Courier.
• To print or save the output without using the print button: select the text in the answer box and copy it to the clipboard with ctrl-C, paste it into Notepad and save or print it from there.
• (Windows only) If you want to recalculate for the same data at a new temperature, enter the new temperature and press the "New T" button.
• Windows: To clear the output box of answers and start again, choose "New Data" and then use "Calc" again. Maple: Just use "Calc" again.