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Browsing by Subject "Hartree–Fock ab initio calculations"

Browsing by Subject "Hartree–Fock ab initio calculations"

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  • Spectroscopic investigations and computational study of sulfur trioxide–pyridine complex 
    Anto, PL; Anto, Ruby John; Varghese, Hema Tresa; Panicker, C Yohannan; Philip, Daizy; Andrade, Gustavo F S; Brolo, Alexandre G (Wiley Analytical Science, 2011-04-01)
    The Fourier transform infrared (FT-IR) and FT-Raman spectra of sulfur trioxide-pyridine complex were recorded and analyzed. The potential-dependent surface-enhanced Raman scattering (SERS) was recorded from an electrochemically ...
  • Vibrational spectroscopic studies and ab initio calculations of phenyl phosphate disodium salt 
    Anto, PL; Anto, Ruby John; Varghese, Hema Tresa; Panicker, C Yohannan; Philip, Daizy (Wiley Analytical Science, 2009-08-19)
    The Fourier-transform infrared and Fourier-tranform Raman spectra of phenyl phosphate disodium salt were recorded and analyzed. The surface-enhanced Raman scattering (SERS) spectrum was recorded in a silver colloid. The ...