@inbook{37c9cf7830104fd5ad6c4762fbc01964,
title = "Relativistic effects on magnetic resonance parameters and other properties of inorganic molecules and metal complexes",
abstract = "This chapter is concerned with relativistic effects on molecular properties other than energy and structure. The chapter has two parts: The first part consists of a brief overview of theoretical formalisms to calculate energy-derivative properties. In the second part benchmark data and selected case studies are presented. The examples emphasize inorganic and organometallic systems but data for some popular benchmark series of molecules with main group atoms are also included. Molecular properties that are discussed in detail this chapter include NMR and EPR parameters, electric field gradients, electronic spectra, and polarizabilities.",
keywords = "Absorption spectra, Chemical shift, Dipole moment, Electric field gradient, Electron paramagnetic resonance, g-tensor, Hyperfine tensor, Molecular response properties, Nuclear magnetic resonance, Nuclear quadrupole coupling, Polarizability, Relativistic effects, Spin–orbit coupling",
author = "Jochen Autschbach",
note = "Publisher Copyright: {\textcopyright} Springer Science+Business Media B.V. 2010",
year = "2010",
doi = "10.1007/978-1-4020-9975-5\_12",
language = "English",
series = "Challenges and Advances in Computational Chemistry and Physics",
publisher = "Springer",
pages = "521--598",
booktitle = "Challenges and Advances in Computational Chemistry and Physics",
address = "Germany",
}