Some simple basis sets for accurate 13c chemical shift calculations

This publication has 22 references indexed in Scilit:

• Proton and carbon-13 chemical shifts: Comparison between theory and experiment
  Chemical Physics, 1984
• Theory of magnetic susceptibilities and NMR chemical shifts in terms of localized quantities. 3. Application to hydrocarbons and other organic molecules
  Journal of the American Chemical Society, 1983
• Theory of magnetic susceptibilities and NMR chemical shifts in terms of localized quantities. II. Application to some simple molecules
  The Journal of Chemical Physics, 1982
• Coupled-Hartree-Fock calculations of susceptibilities and magnetic shielding constants
  Molecular Physics, 1980
• A systematic preparation of new contracted Gaussian‐type orbital sets. III. Second‐row atoms from Li through ne
  Journal of Computational Chemistry, 1980
• Molecular structures of gas-phase polyatomic molecules determined by spectroscopic methods
  Journal of Physical and Chemical Reference Data, 1979
• Density-dependent magnetic shielding in gas phase ¹³C N.M.R.
  Molecular Physics, 1977
• Calculations of the magnetic shielding constants of heavy nuclei in polyatomic molecules
  International Journal of Quantum Chemistry, 1977
• Self-consistent perturbation theory of diamagnetism
  Molecular Physics, 1974
• Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
  The Journal of Chemical Physics, 1971