AB initio MO LCAO UHF calculations of magnetic hyperfine interactions in π-radicals. Isotropic and anisotropic couplings of ·CH3, ·NH3+, ·C2H5 and ·N2H4+-Reference-Cited by-同舟云学术

AB initio MO LCAO UHF calculations of magnetic hyperfine interactions in π-radicals. Isotropic and anisotropic couplings of ·CH3, ·NH3+, ·C2H5 and ·N2H4+

Published:1975-03 Issue:3 Volume:7 Page:465-472
ISSN:0301-0104
Container-title:Chemical Physics
language:en
Short-container-title:Chemical Physics

Author:

Almlöf Jan,Lund Anders,Thuomas Karl-Åke

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference40 articles.

1. Unrestricted Hartree—Fock Calculations. I. An Improved Method of Computing Spin Properties

2. Molecular orbital theory of the electronic structure of organic compounds. II. Spin densities in paramagnetic species

3. INDO Molecular Orbital Study of Hyperfine Tensors: Theory, Methodology, and Applications to CH, CH3, and Radicaloid Derivatives of Malonic Acid

4. Ab initio UHF calculations of hyperfine coupling constants

5. Calculations of the isotropic hyperfine coupling constants in free radicals

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