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History of computational chemistry

Richon AB. A history of computational chemistry, http //www.netsci.org/ Science/Compchem/featurel7a.html. [Pg.48]

Questions of patronage were as important to the history of computational chemistry as were conceptual issues. World War II had brought about a major change in the patronage of science in America as a whole. Prior to the war, scientific specialties had depended almost entirely on private sources of support, such as universities, industry, and philanthropic foundations. During the war, however, the federal government became deeply involved in funding scientific research. As a result, computational chemistry was conceived and born entirely in the era of federally funded science. [Pg.3]

The next two sections of this chapter treat the technical history of computational chemistry, namely the development of the hardware, concepts, and methods used in the field. We discuss first the chemists earliest uses of the computer as a research tool in the 1950s. The first stored program electronic digital computers became available in the early 1950s in chemistry, as in other branches of science, these devices were initially deployed as calculating engines. Next we deal with the expansion of the field of computational chemistry during... [Pg.3]

Richon AB (2001) A scrolhng history of computational chemistry. https //www.researchgate. net/publication/280934406 (Rretrieved 10 March 2016)... [Pg.79]

History of Computational Chemistry A Personal View Molecular Models Visualization Object-oriented Programming. [Pg.473]


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See also in sourсe #XX -- [ Pg.257 , Pg.270 ]




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