Theoretical study of isocyanoacetylene and the isocyanoethynyl radical

Details Theoretical study of isocyanoacetylene and the isocyanoethynyl radical Theoretical study of isocyanoacetylene and the isocyanoethynyl radical

Feb 1978

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1978apj...220..363w&link_type=abstract

Astrophysical Journal, Part 1, vol. 220, Feb. 15, 1978, p. 363-365.

Astronomy and Astrophysics

Astrophysics

8

Free Radicals, Hartree Approximation, Interstellar Chemistry, Molecular Rotation, Quantum Mechanics, Gauss Equation, Isomerization

Scientific paper

Quantum mechanical calculations, using the matrix Hartree-Fock model,
have been performed to obtain estimates of the rotation constants of the
isocyanoacetylene molecule and the isocyanoethynyl radical which may be
detectable in space. A rotation constant of 5076 MHz is calculated for
HC2NC, while for the radical C2NC the value 5458 MHz is obtained.

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