Calculation of magnetic response properties using a continuous set of gauge transformations
- 1 July 1993
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 210 (1-3), 223-231
- https://doi.org/10.1016/0009-2614(93)89127-4
Abstract
No abstract availableThis publication has 17 references indexed in Scilit:
- Calculation of magnetic response properties using atoms in moleculesChemical Physics Letters, 1992
- Coupled Hartree-Fock calculations of magnetic properties of the benzene molecule: estimate of the hartree-fock limit for magnetic susceptibilities andJournal of Molecular Structure: THEOCHEM, 1991
- Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculationsJournal of the American Chemical Society, 1990
- The IGLO-Method: Ab-initio Calculation and Interpretation of NMR Chemical Shifts and Magnetic SusceptibilitiesPublished by Springer Nature ,1990
- Gas-phase 13C chemical shifts in the zero-pressure limit: refinements to the absolute shielding scale for 13CChemical Physics Letters, 1987
- Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–FJournal of Computational Chemistry, 1983
- Theory of magnetic susceptibilities and NMR chemical shifts in terms of localized quantities. 3. Application to hydrocarbons and other organic moleculesJournal of the American Chemical Society, 1983
- Self-consistent perturbation theory of diamagnetismMolecular Physics, 1974
- Magnetic Shielding and Susceptibility AnisotropiesPublished by Elsevier ,1974
- The Chemical Shift and Other Second-Order Magnetic and Electric Properties of Small MoleculesPublished by Elsevier ,1966