• DocumentCode
    2741876
  • Title

    Ab Initio Molecular Modelling of THz Spectra

  • Author

    Rainsford, T.J. ; Jones, I. ; Abbott, D.

  • Author_Institution
    Adelaide Univ., Adelaide
  • fYear
    2006
  • fDate
    18-22 Sept. 2006
  • Firstpage
    449
  • Lastpage
    449
  • Abstract
    Molecular modelling can be used to predict and confirm THz spectra, and to gain information that may be difficult or impossible to obtain experimentally. There are a variety of approaches, and consideration must be given to the likely sources of error in the molecular modelling of THz modes.
  • Keywords
    ab initio calculations; submillimetre wave spectra; THz spectra; ab initio modelling; molecular modelling; Australia; Chemistry; Electric variables measurement; Electrons; Frequency; Gain measurement; Molecular biophysics; Orbital calculations; Predictive models; Quantum computing;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Infrared Millimeter Waves and 14th International Conference on Teraherz Electronics, 2006. IRMMW-THz 2006. Joint 31st International Conference on
  • Conference_Location
    Shanghai
  • Print_ISBN
    1-4244-0400-2
  • Electronic_ISBN
    1-4244-0400-2
  • Type

    conf

  • DOI
    10.1109/ICIMW.2006.368657
  • Filename
    4222391
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=2741876