CHEM3064 Practical Aspects of Computational Chemistry
Later Year Course
| Offered By | Research School of Chemistry |
|---|---|
| Academic Career | Undergraduate |
| Course Subject | Chemistry |
| Offered in | Second Semester, 2010 and Second Semester, 2011 |
| Unit Value | 3 units |
| Course Description |
This laboratory course involves a practical, hands-on introduction to modern Computational Chemistry techniques which are used to model the structures, chemical reactivity and other properties of molecules. This course uses powerful, widely used modern computational programs such as Gaussian to calculate the structure and properties of molecules. |
| Learning Outcomes |
On satisfying the requirements of this course, students will have the knowledge and skills to: 1. Become familiar with the Linux operating system and the MOLDEN graphical user interface to build molecules.2. Learn to construct input files and undertake various types of Gaussian calculations to determine the structures, reactivity and properties of molecules. 3. Undertake benching and model chemistry calculations. 4. Explore the potential energy surface associated with the reaction of H2 with Ir and Rh metal complexes. |
| Indicative Assessment |
Attendance at laboratory practicals is compulsory. Assessment will be based on:
|
| Workload | A maximum of 32 hours of laboratory sessions. |
| Areas of Interest | Chemistry |
| Requisite Statement | CHEM2202 or CHEM2205 or CHEM2101 |
| Incompatibility | CHEM3108 |
| Recommended Courses | CHEM3023 |
| Science Group | C |
| Academic Contact | Professor Rob Stranger |
The information published on the Study at ANU 2010 website applies to the 2010 academic year only. All information provided on this website replaces the information contained in the Study at ANU 2009 website.
