Calculation of the isotropic nuclear spi
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M. Maestro; R. Moccia; M. Zandomeneghi
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Article
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1974
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Elsevier Science
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English
β 425 KB
Isokopic nuclear spti spin coupling constants have been e-&dated for ti possible couplings in HIO, NH3 and CH4 by two different double perturbation techniques. All calculations were performed employing bases of decors constructed with SCF canonical and, for H20, localized orbitals, produced by exten