A textbook of inorganic chemistry vol.XI part II

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No change occurred until 1957, when the “Computers” heading was cross-referenced “see Calculators, computers,” which became “Computers, calculators” in 1958. In 1960 “Computer Programs,, was added, as were “Computer Applications” and “Simulation (model)” in 1967, and “Algorithms” in 1968. ” Entries under “Punched Cards” dwindled during the 1970s, but a single entry still appeared as late as 1990. The progression of headings from “Calculations” to “Calculators, computers” to computer^" is particularly interesting as an indicator of the recognition of the expanding number of uses to which computers could be applied in chemistry.

The Army Ordnance Department was responsible for funding five of the six computers described (the SEAC being the exception). Ransil’s landmark quantum chemical program was run on a computer owned by the Air Force. The majority of the papers discussed in the preceding section, particularly those written in the earlier part of the 1960s, described research performed at federally funded national laboratories, such as Los Alamos. In 1953,54% of the total national expenditures for research and development came from the federal government.

As a graphic demonstration of this situation, they pointed out that the simple formula C40H82, which is saturated by hydrogen so that only chains of atoms can be formed, had been calculated to have 63,491,178,805,831 possible different structures in two dimensions alone. This number would have been much larger if the three-dimensional (stereochemical) nature of organic structures had been considered. 52 It often happens that a given organic compound can be synthesized in different ways, with the number of such syntheses generally increasing with molecular size.

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