Computer Chemistry

The state, problems, and prospects of a new branch of chemistry, computer chemistry, associated with the application of computers to the solution of chemical problems is described. The application of computers in quantum chemistry, in solution theory, in the search for new medicinal drugs, in the identification of chemical compounds from spectroscopic data, and in the development of the syntheses of new chemical compounds is examined. The level of the problems solved in the above fields of computer chemistry is demonstrated for specific examples.
The bibliography includes 64 references.