[CHM 331] HW6

[Andrew J. Pounds]

I was requested to post homework set 6 so those of you that were done 
with 5 (some have already turned it in) could get to work on it.  HW6 is 
now posted on the class website. The due date is 5 pm on April 19th.   
The material mainly comes from chapters 23 and 26, but most of the 
problems are mine.  I was particularly amused by how some of my old 
problems have found their way into Engel and Reid... but that's a story 
for another day.   Based on what I have seen of your work on the 
Computational Chemistry Capsule, I am not anticipating you having a lot 
of difficulty with the concepts, but some of the problems will take time.

There are a couple of problems that are going to require you to do a lot 
of plotting with results from Gaussian. I'll show you in class on 
Wednesday how to set up those calculations and extract the results you 
need from the Gaussian output.

I will try to have HW7 posted later this week.  That will be the final 
one and will focus on polyatomic molecular structure and spectroscopy.


-- 
Andrew J. Pounds, Ph.D.  (pounds_aj at mercer.edu)
Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627
http://faculty.mercer.edu/pounds_aj

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