The equilibrium geometry and some spectroscopic constants of H2C4, a molecule of interest to astrochemistry.

Details The equilibrium geometry and some spectroscopic constants of H2C4, a molecule of interest to astrochemistry. The equilibrium geometry and some spectroscopic constants of H2C4, a molecule of interest to astrochemistry.

Jan 1995

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1995jmosp.169..181o&link_type=abstract

Journal of Molecular Spectroscopy, Vol. 169, No. 1, p. 181 - 184

Astronomy and Astrophysics

Astronomy

12

Astrochemistry: Molecular Processes

Scientific paper

Using a large basis set of 220 contracted Gaussian-type orbitals and the
coupled cluster single-, double-, and perturbative triple-excitation
method, the equilibrium geometry of the astrochemically important
molecule H2C4 is determined.

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