1422-hw09-Gaussian-2009

1422-hw09-Gaussian-2009 - CHEM 1422 - Homework # 9-10...

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CHEM 1422 - Homework # 9-10 Gaussian & GaussView Due Thursday, April 30 (by 4:00 PM) Please download Gaussian 03 and GaussView 4 from Tigerware (located under Scientific Software, Chemistry software) and install on your Windows computer. Up to 3 people can work together on this assignment. Macintosh users should pair up with those with PC/Windows computers. Submit one copy of your report and don’t forget to put all the names of those working together on the report. All reports should be typed, formatted nicely, and include color images (when possible). Prof. Stanley is available to answer questions about Gaussian & GaussView . Separate instructions for using GaussView and Gaussian have been posted by Prof. Stanley. The last part of this assignment is the same as that given to the 1431 Honors Chemistry Lab students. This double assignment will count for 60 pts. 1. (40 pts) Do DFT molecular orbital calculations on perchloric, sulfuric, and phosphoric acids (optimize, DFT, B3LYP, 6-311G( d ) basis set). Make sure you select a single d function on your basis set.
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This note was uploaded on 11/12/2011 for the course CHEM 1422 taught by Professor Staff during the Fall '08 term at LSU.

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1422-hw09-Gaussian-2009 - CHEM 1422 - Homework # 9-10...

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