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Precision in Condensed Phase Vibrational Spectroscopy

Volume 36, Number 3 (June 1982) Page 245-250

Cameron, David G.; Kauppinen, Jyrki K.; Moffatt, Douglas J.; Mantsch, Henry H.


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.