LONG-STANDING THEMES IN COMPUTATIONAL CHEMICAL DYNAMICS

Abstract This article gives a brief history of the development of computational techniques for studying energy transfer and chemical reactions in collisions and unimolecular processes involving atoms and small molecules in the gas phase. The period covered is 1956 to the dawn of the age of parallel computing; and the discussion focuses on early implementations of now standard techniques for accurate solutions of the classical and quantal equations of motion. The emphasis is on early examples of reccuring themes.

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