Publication Abstracts

Green 1984

Green, S., 1984: Theoretical study of magnesium dicarbide. Chem. Phys. Lett., 112, 29-32, doi:10.1016/0009-2614(84)87035-9.

The electronic structure of MgC2 has been studied within the self-consistent field approximation using expansion basis sets ranging up to triple zeta plus double polarization in size. The ground state is predicted to be an ionic, Mg+C2-, symmetric triangular structure. A metastable linear MgCC structure is predicted to lie about 20 kcal/mol higher in energy. Rotation constants and harmonic vibrational force constants are given. The possibility of observing MgC2 in astrophysical sources is briefly discussed.

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BibTeX Citation

@article{gr06700j,
  author={Green, S.},
  title={Theoretical study of magnesium dicarbide},
  year={1984},
  journal={Chem. Phys. Lett.},
  volume={112},
  pages={29--32},
  doi={10.1016/0009-2614(84)87035-9},
}

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RIS Citation

TY  - JOUR
ID  - gr06700j
AU  - Green, S.
PY  - 1984
TI  - Theoretical study of magnesium dicarbide
JA  - Chem. Phys. Lett.
VL  - 112
SP  - 29
EP  - 32
DO  - 10.1016/0009-2614(84)87035-9
ER  -

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