Working tools for theoretical chemistry: Polanyi, Eyring, and debates over the "semiempirical method"

Abstract

Following along with the development of electron theory and quantum mechanics in the 1910s and 1920s, physical chemists began incorporating these new theories and approaches in their studies of activation energies, transition states, and chemical reactions for simple atomic and molecular systems. Among these chemists was Michael Polanyi, one of the founders of modern chemical dynamics, who collaborated with Henry Eyring in the development in the 1930s of a theory of the activated transition state and absolute reaction rates using potential energy surfaces and a semiempirical methodology. This paper examines the circumstances of their collaborative work, its reception, and its implications for further chemical research. © 2006 Wiley Periodicals, Inc.