Coupled cluster calculations for the interstellar molecule HC3NH+.

Details Coupled cluster calculations for the interstellar molecule HC3NH+. Coupled cluster calculations for the interstellar molecule HC3NH+.

Jul 1999

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1999molph..97..209b&link_type=abstract

Mol. Phys. (UK), Vol. 97, No. 1 - 2, p. 209 - 211

Physics

4

Interstellar Molecules: Chemistry

Scientific paper

An accurate equilibrium structure has been established for the linear
interstellar molecular cation HC3NH+. Ground-state
rotational constants for less abundant isotopomers are predicted with an
uncertainty of about 0.02 MHz. The equilibrium dipole moment of
HC3NH+ is calculated to be 1.61 D.

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