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Terahertz time domain,Raman and fourier transform infrared spectroscopy of acrylamide,and the application of density functional theory
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نویسنده
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ullah r. ,khan s.u.-d. ,aamir m. ,ullah r.
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منبع
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journal of spectroscopy - 2013 - دوره : 2013 - - کد همایش:
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چکیده
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We present terahertz time domain spectra of acrylamide in the frequency range from 0.2 to 2 thz with nearly constant refractive index having an average value of 1.33 and an absorption coefficient. raman (95-3000 cm-1) and ftir (450-4000 cm-1) spectra also show good agreement with density functional theory (dft) b3lyp 6-311g++ (3df 3pd) calculations except c-h and n-h stretching frequencies even after scaling with scale factor of 0.9679. we use molvib to rescale such frequencies to match experimental values. © 2013 ramzan ullah et al.
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آدرس
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school of optical-electrical and computer engineering,university of shanghai for science and technology, China, king saud university,p.o. box 800, Saudi Arabia, institute of thermo physics,school of power engineering,chongqing university, China, department of computer and software engineering,bahria university, Pakistan
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Authors
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