• DocumentCode
    2713443
  • Title

    Simulation on circular dichroism of the water clusters in THz range

  • Author

    Tian, X.L. ; Gong, Y.D. ; Dong, H.

  • Author_Institution
    Inst. for Infocomm Res. (I2R), Singapore, Singapore
  • fYear
    2010
  • fDate
    5-10 Sept. 2010
  • Firstpage
    1
  • Lastpage
    1
  • Abstract
    The vibrational spectra of water clusters in the gas phase are calculated by using Ab initio calculation and molecular dynamics. The result reveals that the non-chiral water molecules have circular dichroism (CD) effect due to the hydrogen bondings between the molecules. Strong absorption and circular dichroism have been observed in THz range.
  • Keywords
    ab initio calculations; circular dichroism; hydrogen bonds; molecular clusters; molecular dynamics method; terahertz wave spectra; vibrational modes; water; Ab initio calculation; H2O; circular dichroism effect; gas phase; hydrogen bondings; molecular dynamics; nonchiral water molecules; simulation; strong absorption; terahertz range; vibrational spectra; water clusters; Absorption; Chemistry; Infrared spectra; Mathematical model; Spectroscopy; Trajectory; Water;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Infrared Millimeter and Terahertz Waves (IRMMW-THz), 2010 35th International Conference on
  • Conference_Location
    Rome
  • Print_ISBN
    978-1-4244-6655-9
  • Type

    conf

  • DOI
    10.1109/ICIMW.2010.5612636
  • Filename
    5612636
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=2713443