Density functional calculations of Fermi contact hyperfine coupling parameters
- 1 March 1995
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 234 (4-6) , 405-412
- https://doi.org/10.1016/0009-2614(95)00024-x
Abstract
No abstract availableThis publication has 25 references indexed in Scilit:
- The hyperfine structures of small radicals from density functional calculationsThe Journal of Chemical Physics, 1994
- Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response propertiesThe Journal of Chemical Physics, 1994
- Density functional approach to the structures and EPR parameters of open shell systems. The case of fluorovinyl radicalsChemical Physics Letters, 1993
- Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argonThe Journal of Chemical Physics, 1993
- Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functionsThe Journal of Chemical Physics, 1992
- New algorithm for the optimization of geometries in local density functional theoryChemical Physics Letters, 1990
- Calculation of spin densities in diatomic first-row hydridesThe Journal of Chemical Physics, 1989
- Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogenThe Journal of Chemical Physics, 1989
- Density-functional exchange-energy approximation with correct asymptotic behaviorPhysical Review A, 1988
- Microwave spectrum of nitrogen dioxide in excited vibrational states—Equilibrium structureJournal of Molecular Spectroscopy, 1983