FUTURE ROLES FOR THE NATIONAL RESOURCE FOR COMPUTATION IN CHEMISTRY (NRCC) IN THE AREA OF COMPUTATIONAL SPECTROSCOPY
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Publisher:Ohio State University
Possible future directions for the NRCC in the acquisition, development, support, standardization, and dissemination of software in the area of computational spectroscopy will be presented. Emphasis will be on software for the simulation and analysis of spectra through modeling in contrast to the purely quantum-theoretic approaches of the proceeding talk.
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