Calculation of hyperfine coupling constants of the CN and CP ground state radicals
- 1 May 1993
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 98 (9) , 7012-7019
- https://doi.org/10.1063/1.464744
Abstract
No abstract availableKeywords
This publication has 10 references indexed in Scilit:
- Spin polarization in restricted electronic structure theory: Multiconfiguration self-consistent-field calculations of hyperfine coupling constantsThe Journal of Chemical Physics, 1992
- Indirect nuclear spin–spin coupling constants from multiconfiguration linear response theoryThe Journal of Chemical Physics, 1992
- Calculation of hyperfine coupling constant by symmetry adapted cluster expansion configuration interaction theory. II. Anisotropic constantsThe Journal of Chemical Physics, 1990
- Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogenThe Journal of Chemical Physics, 1989
- Determinant based configuration interaction algorithms for complete and restricted configuration interaction spacesThe Journal of Chemical Physics, 1988
- The generation of 12C31P and 13C31P by reactive laser vaporization for rare gas matrix electron spin resonance studies: Comparison with a b i n i t i o theoretical calculationsThe Journal of Chemical Physics, 1988
- Calculation of the hyperfine splitting constants for diatomic molecules using numerical wavefunctionsChemical Physics Letters, 1987
- The laboratory microwave spectrum of the cyanide radical in its X 2Σ+ ground stateThe Journal of Chemical Physics, 1977
- Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row AtomsThe Journal of Chemical Physics, 1970
- ESR of the CN Radical in Inert MatricesThe Journal of Chemical Physics, 1970