Guiding Questions

What is the role and purpose of computational chemistry? What does computational chemistry allow us to do that cannot be done using "traditional" (i.e. wet) chemistry?
What is the fundamental mathematical expression that needs to be solved in doing computaional chemistry? What are the terms in this equation, what is their significance, what variations can be used?
What are the approximations that can be used in doing computational chemistry? What are the pros and cons of the various approximations? How does choice of approximation affect the results, the computing time, etc.
There are roughly three different "flavors" to computational chemistry: ab initio methods, semiempirical methods, and molecular mechanics/molecular dynamics. What are these methods? How do they differ?
What are the fundamental units of measure used by computational chemists? What are some different ways that these fundamental units might be expressed?
What are some of the computer codes that one might use to do computational chemistry? What platforms are needed for these codes, what are the strengths and limitations of these codes?

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