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Proceedings Paper

Attainment of the absorption spectra of polyacrylonitrile based on the AM1 semiempirical Hartree-Fock model
Author(s): I. Rosales-Candelas; J. J. Soto-Bernal; Rosario González Mota; J. T. Vega-Dúran; A. Bonilla-Petriciolet
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Paper Abstract

This work carries out a simulation of the absorption spectra on the IR of an untinted textile fiber manufactured with polyacrylonitrile (PAN), obtained by calculating the Molecular Orbitals (MOs) and their associated energies based on the semiempirical (AM1) Hartree-Fock (HF) model and compared with the experimental results obtained from a PAN textile fiber with blue pigment by means of an IR FTIR Avatar Nicolete spectrophotometer.

Paper Details

Date Published: 16 May 2007
PDF: 6 pages
Proc. SPIE 6422, Sixth Symposium Optics in Industry, 64221E (16 May 2007); doi: 10.1117/12.742351
Show Author Affiliations
I. Rosales-Candelas, Ctr. de Investigaciones en Óptica, A. C. (Mexico)
Instituto Tecnológico de Aguascalientes (Mexico)
J. J. Soto-Bernal, Ctr. de Investigaciones en Óptica, A. C. (Mexico)
Instituto Tecnológico de Aguascalientes (Mexico)
Rosario González Mota, Ctr. de Investigaciones en Óptica, A. C. (Mexico)
J. T. Vega-Dúran, Ctr. de Investigación en Ciencia Aplicada y Tecnología Avanzada (Mexico)
A. Bonilla-Petriciolet, Instituto Tecnológico de Aguascalientes (Mexico)


Published in SPIE Proceedings Vol. 6422:
Sixth Symposium Optics in Industry

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