This is a web based course with my notes posted here. There is no "assigned textbook". However, there is a relatively cheap companion text that is available through Amazon.com Computational Chemistry, (Oxford Chemistry Primers, 29), Grant and Richards.

You can get a copy of the 2009 syllabus by clicking here .

and a copy of the 2007 exam by clicking here . Notice how the whole course was a preparation for the final exam, which was "open notebook". Each student will have their own molecules to work on.

This a course designed to expand the Quantum Chemistry -theory and practice- that you encountered in first semester Physical Chemistry.
We will be bridging Quantum Chemistry and the theory behind Organic, Inorganic, Analytical, and Polymer Chemistry.
It is strongly recommended that you re-examine the Molecular Orbital Theory that is given in first year chemistry as well as what you have already seen it in Physical Chemistry.
As stated in the Camden Catalog, Physical Chemistry is a corequisite course.The registrar does not check for co-requisites, only pre-requisites. I do.
The reason for this is that our P Chem lab course teaches the skills of working on UNIX work-stations. Since this course is given in the Spring semester, I assume that you have aquired all the UNIX skills taught in the previous P Chem I lab course.
We will be reviewing these skills in the first week of class and I will assume that you will be proficient in them by the second week.

Please check here for messages that were created after 16/04/18/01/2007 (min/hr/day/mo/yr).

There are eleven topics covered in the semester. Each lasts one or two weeks. BEFORE each class, please consult this page for 1) the topic and 2) the preparations for the class. Then, assignments will be announced here and in class.

The usernames in the Fall '98, '99, '00, and '01 classes are: click here

Unless your computer can play "aifc" files, the next three links will be broken.
How one attains the holy grail of this course, an "A" : click here

What one must not be afraid to do for this course: click here

What half of you are thinking about while sitting in lecture: click here

Where we will meet :
Business and Science Building, Science Vision Laboratory, Room 424,

When we will meet :
Mon/Wed/Fri mornings, 10:10-11:05 AM

Topics for the first three weeks:
(ESSENTIAL: Bring a notebook to all labs! There are many nitty-gritty details that you need to copy down.)

1-the use of unix workstations, overview of course,
2-the use of unix workstations (continued, editors, sftp&ssh), molecular modelling programs, starting with 'GausView',
3-Read my notes on Quantum Chemistry (click here) or to down load a MS-word file click here; The H atom, H2 molecule, and HHe+ molecular ion, 1s atomic orbital, sigma molecular orbital, electron density (probability),
4-The molecular orbital approximated as the weighted sum of atomic orbitals (and watching your weights), obtaining these weights (called coefficients) from molecular orbital programs. Review my notes on the combination of orbitals (click here). Qualitative MO Theory (Intro)
5- 'GausView', molecular mechanics, optimization of geometries .
6-Quiz 1, Qualitative MO Theory (cont.). The sigma and pi bonds; how many pi bonds are there in ethylene? Hyperconjugation, Gaussian98 program.

Topics for the following weeks:
7-Intro to vibrational spectroscopy. Review IR spectroscopy in any modern, Organic Chemistry textbook; read my notes on the Quantum Chemistry of IR (click here)
8-Vibrational spectroscopy, continued.
9-Aromaticity in benzene, thiophene, furan, and pyrrole, Read my notes on aromaticity (click here)
10-Reaction pathways, mechanism, transition states and intermediates,
Energy diagram for corollary to Hammond's Postulate: (click here)

11-Band structure and polymer orbitals.

Preparation for class: (Bring notebook to all lectures!)

Clocking for my websites began on 05 September 2002