@inbook{302f27a44c744587bded1f312c8b9b48,
title = "Relativistic Effects on NMR Parameters",
abstract = "For heavy atoms, and for molecules with heavy atoms, a theoretical description of the electronic structure needs to consider the finite speed of light and Einstein's special relativity. This chapter provides a brief introduction to special relativity and to relativistic methods in quantum chemistry. It is shown how these methods can be used to calculate NMR chemical shifts and indirect spin-spin coupling constants (J-coupling). A number of examples are discussed where relativistic effects have a significant influence on these NMR parameters. In some cases for example, for indirect spin-spin coupling involving 199Hg, relativistic effects may be larger than the total value calculated with a nonrelativistic method.",
keywords = "Einstein's special relativity, Heavy-atom effects, NMR parameters, Relativistic effect on J-couplings, Spin-orbit effects on NMR shielding",
author = "Jochen Autschbach",
year = "2013",
doi = "10.1016/B978-0-444-59411-2.00004-6",
language = "English",
series = "Science and Technology of Atomic, Molecular, Condensed Matter and Biological Systems",
publisher = "Elsevier B.V.",
number = "1",
pages = "69--117",
booktitle = "Science and Technology of Atomic, Molecular, Condensed Matter and Biological Systems",
address = "Netherlands",
edition = "1",
}