Calculation of hyperfine coupling consta
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B. Burton; T.A. Claxton; Y. Ellinger
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Article
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1979
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Elsevier Science
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English
⚖ 354 KB
First and second order double perturbation theory using the Epstein-Nesbet partition was used to calculate hyperfine coupling constants for H 2NO. The results are compared with configuration interaction calculations with all single, double and some triple excitations.