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176375

Second difference method reinforced by grouping

a new tool for assistance in assignment of complexmolecular spectra

Takehiko Tanaka

pp. 532-542

Abstract

This report describes a search for a new method for assistance in assignment of complex molecular spectra without obviously recognizable regular patterns, on which traditional methods of spectral assignment have depended. We propose "second difference method reinforced by grouping," a computer-aided technique for picking out regular patterns buried in a list of observed line wavenumbers which look like randomly distributed. The results of tests suggest that this technique may be succesfully applied even to the cases in which the method of Loomis-Wood diagram would fail. Superiority of the present method to the Loomis-Wood method in immunity against the interference by the overlap of unrelated spectral bands is also demonstrated.

Publication details

Published in:

Arikawa Setsuo, Shinohara Ayumi (2002) Progress in discovery science: final report of the Japanese discovery science project. Dordrecht, Springer.

Pages: 532-542

DOI: 10.1007/3-540-45884-0_40

Full citation:

Tanaka Takehiko (2002) „Second difference method reinforced by grouping: a new tool for assistance in assignment of complexmolecular spectra“, In: S. Arikawa & A. Shinohara (eds.), Progress in discovery science, Dordrecht, Springer, 532–542.