Molecular Geometries and Harmonic Frequencies from the...

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

DePrince III, A. Eugene, Mazziotti, David A.
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Volume:
112
Language:
english
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/jp805752f
Date:
December, 2008
File:
PDF, 69 KB
english, 2008
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