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Calculation of the isotropic nuclear spin spin coupling constants for H2O, NH3 and CH4

✍ Scribed by M. Maestro; R. Moccia; M. Zandomeneghi

Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
425 KB
Volume
28
Category
Article
ISSN
0009-2614

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✦ Synopsis

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 extended ST0 basis set calculations.

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