Variational Evaluation of the HSSH FIR T
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M.L. Senent; Y.G. Smeyers; R. DomΔ±́nguez-GΓ³mez; A. Arroyo; S. FernΓ‘nd
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Article
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2000
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Elsevier Science
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English
β 182 KB
The roto-torsional energy levels of HSSH and DSSD up to J Ο 20 are evaluated variationally with a Hamiltonian expressed in terms of internal coordinates. The kinetic and potential parameters are derived from ab initio calculations with full optimization of the geometry. The calculated levels are emp