Exercise Information Sheet



Where is the ChemGate Web Page?

The ChemGate Web Page is located at

Fall 1997: http://www.columbia.edu/itc/chemistry/chem-c1403/chemgate/index.html
Spring 1998: http://www.columbia.edu/itc/chemistry/chem-c1404/chemgate/index.html

After Netscape is available on the screen, type the above URL in the Location Toolbar. When the ChemGate web page appears within Netscape, click on Bookmarks, then click on Add Bookmark to permanently save this location. The next time you use Netscape, click on Bookmarks, then click on the ChemGate web page location immediately.

Exercise Reminder

Please note: the properties for all atoms and molecules are already precalculated within Spartan. Students should read the desired atom or molecule into Spartan and observe the results needed to perform the individual exercise.

Spartan Shortcuts

The Exercise Shortcuts represent quick and easy directions for using Spartan in solving the exercises assigned for this semester

Accessing Spartan

On the Toolchest Icon select Apps, move the cursor to Spartan and click on the selection with the left mouse button. The Spartan window will then appear on the screen.

Another way to bring up the Spartan window is to select Desktop on the Toolchest Icon. Move the cursor to Unix shell and click on it with the left mouse button. A "Unix shell" will appear. This is really a window for typing commands. Move the cursor into the window and then type spartan. The Spartan window will then appear on the screen.

Schematic Representation of a Typical Student Desktop


Changing The Directory Within Spartan

Reading Atoms or Molecules Into Spartan

The following sequence assumes that Spartan is pointing to the directory:

/usr/local/chemistry/ChemGate_Fall97

Displaying Electron Density Surfaces

Displaying Geometries of Molecules

Displaying Electrostatic Potential Energy Surfaces

NOTE: The colors indicate values of the electrostatic potential evaluated on the surface; colors near RED correspond to Negative Potential (a stabilizing interaction between the molecule and a postive test charge) while colors near BLUE correspond to Positive Potential (a destabilizing interaction between the molecule and a positive test charge).

Displaying Atomic and Molecular Orbitals

Displaying Charges on Specific Atoms in a Molecule

NOTE: If the Charge appears as grey (i.e. Charge), this means that it is inactive and not available for this molecule.

Displaying Molecular Dipole Moment

NOTE: If the Dipole appears as grey (i.e. Dipole), this means that it is inactive and not available for this molecule.

Displaying Energies of Molecules

NOTE: If the Energy appears as grey (i.e. Energy), this means that it is inactive and not available for this molecule.