[CSC 335] Project 1 Test Data

Andrew J. Pounds pounds_aj at mercer.edu
Tue Nov 1 15:25:43 EDT 2011


Alrighty -- I have placed a new test file out there and a "solution".  
Please note that the solution only contains the rough location of the 
peak center, but does provide an integration value as well as a 
"hydrogen count".   The other relevant information related to the run is 
also found in the solution file.

http://theochem.mercer.edu/csc335

look on the data tab



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