Ab initio calculation of the 31P NMR shielding tensor for the series POaFb−(2a+b−5), a+b=4 and for HPO42−
- 18 September 1987
- journal article
- Published by Elsevier BV in Chemical Physics Letters
- Vol. 140 (1), 37-40
- https://doi.org/10.1016/0009-2614(87)80412-8
Abstract
No abstract availableKeywords
This publication has 16 references indexed in Scilit:
- Coupled Hartree–Fock calculations of 31P NMR shieldings in phosphorous fluorides and PO3−4The Journal of Chemical Physics, 1987
- On the “sagging pattern” of29 Si NMR shieldings in the series SiHaFb, a+b = 4Chemical Physics Letters, 1986
- Chemical shift anisotropy of 31P in phosphonic acids and their estersChemical Physics Letters, 1985
- Non-biological aspects of phosphorus-31 NMR spectroscopyProgress in Nuclear Magnetic Resonance Spectroscopy, 1984
- Theoretical determination of the magnetic properties of HCl, H2S, PH3, and SiH4 moleculesThe Journal of Chemical Physics, 1980
- 31P NMR and π bond in solid phosphorus compoundsSpectrochimica Acta Part A: Molecular Spectroscopy, 1978
- 19F and 31P magnetic shielding anisotropies and the F–P–F bond angle of PSF3 in a smectic liquid crystal solventThe Journal of Chemical Physics, 1976
- 19F and31P magnetic shielding anisotropies in phosphoryl fluorideMolecular Physics, 1974
- The crystal structure of ammonium monofluorophosphate: (NH4)2PO3F.H2OActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1972
- NMR Study of BaFPO3: 31P and 19F Chemical-Shift Anisotropies and the Absolute Sign of the F–P Coupling ConstantThe Journal of Chemical Physics, 1969