☆ 4.5 Article

Molecular Geometries and Harmonic Frequencies from the Parametric Two-Electron Reduced Density Matrix Method with Application to the HCN ⇆ HNC Isomerization

JOURNAL OF PHYSICAL CHEMISTRY B (2008)

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Molecular Geometries and Harmonic Frequencies from the Parametric Two-Electron Reduced Density Matrix Method with Application to the HCN ⇆ HNC Isomerization

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