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

Title
Molecular Geometries and Harmonic Frequencies from the Parametric Two-Electron Reduced Density Matrix Method with Application to the HCN ↔ HNC Isomerization†
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 112, Issue 50, Pages 16158-16162
Publisher
American Chemical Society (ACS)
Online
2008-11-11
DOI
10.1021/jp805752f

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