Comparative sp and spd SCF-INDO-FPT calculations of PC and PP nuclear spin-coupling constants of phosphorins and diphosphines
- 30 November 1979
- journal article
- Published by Elsevier in Journal of Magnetic Resonance (1969)
- Vol. 36 (2) , 181-187
- https://doi.org/10.1016/0022-2364(79)90092-1
Abstract
No abstract availableKeywords
This publication has 26 references indexed in Scilit:
- Nuclear magnetic resonance and molecular orbital study of phenylphosphine and some dihalogeno derivativesJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1978
- Theoretical calculations of nuclear spin coupling of phosphorus to carbon and hydrogen by the finite perturbation methodMagnetic Resonance in Chemistry, 1976
- Quantum mechanical calculations of P-C and P-H spin-spin coupling constants in model compounds and in nucleotidesJournal of Theoretical Biology, 1974
- On the d-Orbital Influence in INDO Calculations of NMR and ESR Parameters of Sulphur HeterocyclicsZeitschrift für Naturforschung A, 1973
- Self-consistent perturbation theory calculations of nuclear spin coupling constants in thiophenesChemical Physics Letters, 1973
- Self-Consistent Perturbation Theory of Nuclear Spin-Coupling Constants: Application to Couplings Involving Carbon and FluorineThe Journal of Chemical Physics, 1971
- Applications of the INDO method to some radicals containing second row elementsTheoretical Chemistry Accounts, 1971
- Self-Consistent Perturbation Theory. II. Nuclear-Spin Coupling ConstantsThe Journal of Chemical Physics, 1968
- Complete neglect of differential overlap calculations on second-row moleculesJournal of the American Chemical Society, 1968
- Approximate Self-Consistent Molecular-Orbital Theory. V. Intermediate Neglect of Differential OverlapThe Journal of Chemical Physics, 1967