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An Infrared Spectrum of CO2 Dimers in the "Locked" Configuration

โœ Scribed by Mannik, L.; Stryland, J. C.; Welsh, H. L.


Book ID
111858364
Publisher
NRC Research Press
Year
1971
Tongue
English
Weight
126 KB
Volume
49
Category
Article
ISSN
0008-4204

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In this paper, we report ab initio geometries, infrared frequencies and intensities for the HCP dimer. Two levels of theory have been used, restricted Hartree-Fock (RHF) and Muller-Plesset second-order perturbation theory (MPZ). Significant reduction of the intermolecular distance is found between t