How restricted are partially restricted mo calculations? A few comments on the calculations of spin-spin coupling pathways at the INDO/FPT level

This publication has 9 references indexed in Scilit:

• Nuclear spin-spin coupling via nonbonded interactions. 4. Importance of bridgehead interactions on vicinal carbon-13-fluorine-19 and long-range proton-fluorine-19 coupling constants in 1-fluorobicycloalkanes
  Journal of the American Chemical Society, 1982
• Transmission mechanisms of inter‐proton long‐range couplings in substituted anisoles
  Magnetic Resonance in Chemistry, 1981
• Unrestricted Hartree-Fock instabilities in semiempirical CNDO/S and INDO/S calculations of spin-spin coupling constants
  Theoretical Chemistry Accounts, 1981
• Calculation of the nuclear spin-spin coupling constants. 3. .sigma.- and .pi.-Electron contributions in some simple unsaturated hydrocarbons
  Journal of the American Chemical Society, 1981
• The use of partially restricted molecular orbitals to investigate transmission mechanisms of spin-spin coupling constants. I. The? and? contributions within the FPT INDO method
  Theoretical Chemistry Accounts, 1981
• Nuclear spin-spin coupling via nonbonded interactions. 3. Importance of bridgehead interactions on vicinal carbon-13-proton and carbon-13-carbon-13 coupling constants in bicycloalkanes
  Journal of the American Chemical Society, 1980
• Nuclear spin-spin coupling via nonbonded interactions. 2. .gamma.-Substituent effects for vicinal coupling constants involving carbon-13
  Journal of the American Chemical Society, 1980
• Nuclear spin-spin coupling via nonbonded interactions. 1. Conformational and substituent effects on vicinal carbon-13-proton and carbon-13-carbon-13 coupling constants
  Journal of the American Chemical Society, 1980
• Calculations of nuclear spin—spin coupling constants
  Progress in Nuclear Magnetic Resonance Spectroscopy, 1977