The infrared spectrum of the methylidyne
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John Simon Craw; Wagner B. de Almeida
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Article
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1991
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Elsevier Science
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English
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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