Theoretical chemistry is the use of non-experimental reasoning to explain or predict
chemical phenomena. In recent years, it has consisted primarily of
quantum chemistry, i. e., the application of
quantum mechanics to problems in chemistry. Much of this has in fact fallen under the heading of
computational chemistry, i. e., the application of computation to the solution of problems in chemistry.
Theoretical attacks on chemical problems go back to the earliest days, but until the formulation of the Schrödinger equation by the Austrian physicist Erwin Schrödinger, the techniques available were rather crude and speculative. Currently, much more sophisticated theoretical attacks based on quantum mechanics are in vogue.
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