Search Results - "Odaka, Tina Erica"
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A theoretical study of the MgNC/MgCN isomerization in the electronic ground state
Published in Journal of molecular structure (30-06-2004)“…This paper reports the first theoretical treatment of the MgNC↔MgCN isomerization in the X ̃ 2 Σ + electronic ground state. Based on ab initio data, a global…”
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The double Renner effect: A theoretical study of the MgNC/MgCN isomerization in the A ˜ 2Π electronic state
Published in Journal of molecular structure (01-08-2006)“…This paper reports the first theoretical treatment of the MgNC↔MgCN isomerization in the A ˜ 2Π electronic state. In this state, the electronic energy is…”
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The Renner effect in triatomic molecules with application to CH2+, MgNC and NH2
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01-03-2002)Get full text
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A Theoretical Study of Atilde2Π MgCN
Published in Journal of molecular spectroscopy (01-12-2002)“…We use the RENNER program system (see, for example, P. Jensen, G. Osmann, and P. R. Bunker, in “Computational Molecular Spectroscopy” (P. Jensen and P. R…”
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An ab Initio Study of the Ã2Π State and the Ã2Π←X̃2Σ+ Electronic Transition of MgNC
Published in Journal of molecular spectroscopy (01-01-2002)“…We use the RENNER program system (see, for example, P. Jensen, G. Osmann, and P. R. Bunker, in “Computational Molecular Spectroscopy” (P. Jensen and P. R…”
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A Theoretical Study of MgNC and MgCN in the X̃2Σ + Electronic State
Published in Journal of molecular spectroscopy (01-09-2002)“…The MgNC radical was the first Mg-containing species to be observed in interstellar space. This fact has stimulated considerable spectroscopic interest in this…”
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The Renner effect in triatomic molecules with application to CH+, MgNC and NH2
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01-03-2002)“…We have developed a computational procedure, based on the variational method, for the calculation of the rovibronic energies of a triatomic molecule in an…”
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The Renner effect in triatomic molecules with application to CH 2+, MgNC and NH 2
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (2002)“…We have developed a computational procedure, based on the variational method, for the calculation of the rovibronic energies of a triatomic molecule in an…”
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