
This module gives a brief overview of computational chemistry, a branch of chemistry concerned with theoretically determining properties of molecules. The fundamentals of how to conduct a computational project are discussed as well as the variety of different models that can be used. Because of the difficulty of dealing with nanosized materials, computational modeling has become an important characterization tool in nanotechnology.
- Subject:
- Chemistry
- Material Type:
- Lecture Notes
- Provider:
- Purdue University
- Provider Set:
- nanoHUB.org
- Author:
- Shalayna Lair, University of Texas, El Paso
- Date Added:
- 02/16/2011