doi:10.1155/2016/4058478engChamorro-Posada, P.Silva-Castro, I.Vázquez-Cabo, J.Martín-Ramos, P.López-Santos, J.M.Martín-Gil, J.A study of the far infrared Spectrum of N -Acetyl-D-Glucosamine using THz-TDS, FTIR, and semiempirical quantum chemistry methodsART-2016-103348The far infrared spectrum of N-acetyl-D-glucosamine has been studied by combining THz-TDS and FTIR characterization techniques with theoretical studies based on semiempirical quantum chemistry methods. A strong spectral peak at 60 cm-1 has been identified, which constitutes the main signature of the material in the terahertz band. Calculated molecular vibrations are in good qualitative and semiquantitative agreement with both the THz-TDS and FTIR experiments. In comparison to previous DFT-based studies, the semiempirical approach chosen herein, suitable for parallel multi-core and GPU acceleration, allows for a full study using periodic boundary conditions and no further approximations within a constrained computing time.2016http://zaguan.unizar.es/record/6916510.1155/2016/4058478http://zaguan.unizar.es/record/69165oai:zaguan.unizar.es:69165info:eu-repo/grantAgreement/ES/MINECO/TEC2011-28683-C02-02info:eu-repo/grantAgreement/ES/MINECO/TEC2015-69665-RJournal of Spectroscopy 2016 (2016), 4058478 [7 pp]byhttp://creativecommons.org/licenses/by/3.0/es/info:eu-repo/semantics/openAccess