Date: Fall 2009
What is theoretical chemistry? Where do we use theoretical
chemistry? Why is theoretical chemistry important?
Here is the most comprehensive, yet succinct description of theoretical
chemistry I can find.
Theoretical chemistry is a branch of chemistry that uses various
theoretical models to predict how chemical substances react. It is an
increasingly important and useful branch of chemistry. It allows the
chemist to "do an experiment" by computation (usually with computer
assistance, because the calculations are complicated. But remember, in the
end, its predictions must be verified by experimental data.
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Update: June 2012