Inclusion of hydrogenp orbitals in the semiempirical calculation ofNMR parameters. III:INDO CHF calculations of orbital and dipolar contributions to spin-spin coupling constants involving protons-Reference-Cited by-同舟云学术

Inclusion of hydrogenp orbitals in the semiempirical calculation ofNMR parameters. III:INDO CHF calculations of orbital and dipolar contributions to spin-spin coupling constants involving protons

Published:1981-10 Issue:4 Volume:20 Page:909-919
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Facelli J. C.,Contreras R. H.

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference35 articles.

1. Self‐Consistent Perturbation Theory of Nuclear Spin‐Coupling Constants: Application to Couplings Involving Carbon and Fluorine

2. Erratum: Self‐consistent perturbation theory of nuclear spin‐coupling constants: Application to couplings involving fluorine

3. The calculation of nuclear spin-spin coupling constants using CNDO/2 and INDO SCFMO methods—the inclusion of orbital and spin-dipolar components

4. Coupled Hartree-Fock calculations of nuclear magnetic resonance carbon-carbon coupling constants in substituted benzenes

5. Theory and calculation of carbon-nitrogen spin-spin coupling constants

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