Title of article :
Calculation of second Kerr effect virial coefficients of H2S
Author/Authors :
Couling، Vincent W. نويسنده , , Graham، Clive نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2000
Abstract :
Second Kerr effect virial coefficients BK of H2S have been calculated using our recent molecular tensor theory of BK for molecules of nonlinear symmetry. After optimization of the intermolecular potential interaction parameters and molecular quadrupole moment for H2S, the calculated BK values are seen to agree with the experimental values found in the literature to within 10% over the temperature range of the measured data. The components of the quadrupole moment tensor obtained by optimization are not in good agreement with the one set of calculated values reported in the literature.
Keywords :
Organic compounds , Infrared spectroscopy , Fullerenes , Electronic paramagnetic resonance (EPR) , Chemical synthesis
Journal title :
MOLECULAR PHYSICS
Journal title :
MOLECULAR PHYSICS