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16 May 2007 Attainment of the absorption spectra of polyacrylonitrile based on the AM1 semiempirical Hartree-Fock model
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Proceedings Volume 6422, Sixth Symposium Optics in Industry; 64221E (2007) https://doi.org/10.1117/12.742351
Event: Sixth Symposium Optics in Industry, 2007, Monterrey, Mexico
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.
© (2007) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
I. Rosales-Candelas, J. J. Soto-Bernal, Rosario González Mota, J. T. Vega-Dúran, and A. Bonilla-Petriciolet "Attainment of the absorption spectra of polyacrylonitrile based on the AM1 semiempirical Hartree-Fock model", Proc. SPIE 6422, Sixth Symposium Optics in Industry, 64221E (16 May 2007); https://doi.org/10.1117/12.742351
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