Times and Places
  http://www.cobalt.chem.ucalgary.ca/ziegler/Chem575/lab.html
 

CHEM 575 - Advanced Electronic Structure Theory

Fall 2011  Calendar Description

THIS COURSE IS NOT FULL

Section	Term	Days	Time	Dur	Location	Instructor	Status
LAB	Fall	Th	14:00-17:00	180 min	SA156	Hristina Zhekova	OK

 Lab Introduction
This is a computational chemistry lab. It is rather different to your normal chemistry lab. Follow this link for an outline of how the lab will operate, what it will involve, what should be submitted for grading and other details.

 Lab Schedule
 
 

Date	Subject	Lab Number
Thursday September 15	The GUI and first Calculations on Atoms	LAB-1 (html) LAB-1 (pdf)
Thursday September 22	Molecules and Molecular Orbitals	LAB-2 (html) LAB-2 (pdf)
Thursday September 29	Details of a Calculation	LAB-3 (html) LAB-3 (pdf)
Thursday October 6	Geometry Optimizations	LAB-4 (html) LAB-4 (pdf)
Thursday October 13	Chemical Reactions	LAB-5 (html) LAB-5 (pdf)
Thursday October 20	The Second Derivative of the Energy	LAB-6 (html) LAB-6 (pdf)
Thursday October 27	Electronic Spectroscopy	LAB-7 (html) LAB-7 (pdf)
Thursday November 3	Solvation and Relativistic Effects	LAB-8 (html) LAB-8 (pdf)
Thursday November 17	NMR spectra, EPR spectra, Other spectra and Newer ADF	LAB-9 (html) LAB-9 (pdf)
Thursday November 24 and Thursday December 1	Project	Project (pdf)

Lab Manual

The lab manual is available only through download on this page. If you desire, you can print out the PDF version. However, since the lab contains a number of links to web pages we recommend the html version for use during the lab itself.