Formulae to calculate the anisotropic components of the hyperfine coupling tensor are given for gaussian type orbitals. These are used to evaluate the principal values, with their directions referred to molecular axes, of the hyperfine coupling tensor for every atom in the radicals NaH+, N–2, NO, CN, HCO, HCN–, HBO–, H2CN, C2H3.
T. A. Claxton and N. A. Smith, Trans. Faraday Soc., 1971, 67, 1859 DOI: 10.1039/TF9716701859
To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.
If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.
If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.
Read more about how to correctly acknowledge RSC content.
Please wait while we load your content...