Precision in Condensed Phase Vibrational Spectroscopy
David G. Cameron(National Research Council Canada), Jyrki Kauppinen(National Research Council Canada), Douglas J. Moffatt(National Research Council Canada), Henry H. Mantsch(National Research Council Canada)
Cited by 212
Abstract
Algorithms for the computation of bandwidths, and center of gravity and least-squares frequencies are developed. The sources of error are discussed, and it is shown that the above parameters can be determined with maximum uncertainties of hundredths or thousandths of a wave number.
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