Abstract
Recent years have seen dramatic and exciting advances in computational chemistry, due to important developments in both hardware and software technology. One of these has certainly been the increasing availability of supercomputers for research purposes, as for example at the centers supported by the National Science Foundation and at government laboratories such as the Naval Research Laboratory or the Air Force Supercomputing Center. A complementary factor has been the expanded use of personal computers, workstations and graphics terminals that allow the researcher to interact with supercomputers and mainframes, and to visually monitor and examine the results. At the same time, there has been a mushrooming of software packages at all levels, ranging from ab initio to empirical, which permit continually improving computational treatments of systems ranging from individual molecules to molecular aggregates.
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© 1991 Plenum Press, New York
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Seminario, J.M., Murray, J.S., Politzer, P. (1991). First-Principles Theoretical Methods for the Calculation of Electronic Charge Densities and Electrostatic Potentials. In: Jeffrey, G.A., Piniella, J.F. (eds) The Application of Charge Density Research to Chemistry and Drug Design. NATO ASI Series, vol 250. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-3700-7_29
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DOI: https://doi.org/10.1007/978-1-4615-3700-7_29
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