Statistics – Computation
Scientific paper
Feb 1996
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1996cpl...250..165y&link_type=abstract
Chem. Phys. Lett., Vol. 250, No. 2, p. 165 - 170
Statistics
Computation
7
Interstellar Molecules: Radicals
Scientific paper
The equilibrium structure of the cyclic C3H radical was obtained by ab initio computation. The total energy at a Cs optimum structure is lower than that of a C2v optimum structure by only 10-4 hartree and the adiabatic potential surface for the antisymmetric motion is so flat that no locally bound vibrational level exists around the Cs minimum; the force constant for the CC antisymmetric stretching mode is about one sixth of that for the CC symmetric stretching mode.
Murakami Akinori
Noro Tetsuo
Shimogawara S.
Taiko H.
Tanaka Kanenobu
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