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Ab initio molecular orbital calculations of nuclear spin–spin coupling constants in PH−2, PH3, PH+4 and P2H4

✍ Scribed by D. Chakraborty; P. Chandra

Book ID
114143007
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
96 KB
Volume
434
Category
Article
ISSN
0166-1280

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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