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1988 (1)
1Author    George MaroulisRequires cookie*
 Abstract    le c tric a l P ro p e rtie s f o r H C O + a n d N N H + fro m F o u r th -O r d e r M 0 lIe r-P le sse t P e r tu r b a tio n T h e o ry Electric multipole moments and static polarizabilities are reported for HCO+ and NNH + . Both molecular ions are of great importance to interstellar matter chemistry. All properties were calculated from the energy of the molecule in the presence of distant electric charges. Electron correlation effects were taken into account via SDQ-MPPT(4), fourth-order Moller-Plesset Perturbation Theory with single, double and quadrupole substitutions from the reference SCF wavefunction. With the exception of the dipole moment, values for the other properties studied in this work appear in the literature for the first time. The dipole moment (relative to the centre of mass) and the axial and perpendicular components of the dipole polarizability are 1.515 ea0, 13.39 and 6.88 e2a\Eh "' respectively for HCO+ and 1.328 ea0, 13.81 and 5.70 e2a2 0Eh "' for NNH + . 
  Reference    Z. Naturforsch. 43a, 419—429 (1988); received February 5 1988 
  Published    1988 
  Keywords    HCO +, NNH +, Electric Moments, Electric Polarizabilities 
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 TEI-XML for    default:Reihe_A/43/ZNA-1988-43a-0419.pdf 
 Identifier    ZNA-1988-43a-0419 
 Volume    43