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Probable interstellar MgX (X = CN, NC, CCH, CC, C3N, NCCC, CCNC, C4H, and C4): A DFT study
Authors:Kozo Aoki
Institution:Grande_Maison_Hosoyama 110, 5-25-7 Hosoyama, Asao-ku, Kawasaki-shi, Kanagawa 215-0001, Japan
Abstract:The geometries, dipole moments, and rotational constants for several magnesium compounds and their anions were calculated by using the B3LYP/Aug-cc-pVTZ method. The rotational constants of linear forms have been derived to be used for laboratory experiment and astronomical observation.
Keywords:Anion  Interstellar molecule  Rotational constant  Dipole moment
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