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Molecular Information from ESR Spectra: Transition Metal Molecules

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Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules

Abstract

Electron spin resonance (ESR) spectroscopy at low temperatures can provide detailed electronic and magnetic properties of reactive molecules, such as their multiplicities, zero-field splittings, and hyperfine interaction constants. This has proved to be particularly valuable in the study of small transition metal molecules and clusters where ab initio theory is also being applied. A review of the experimental and theoretical knowledge of those molecules is brought up to date.

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Author information

Authors and Affiliations

  1. Department of Chemistry, University of Florida, Gainesville, Florida, 32611, USA

    W. Weltner Jr. & R. J. Van Zee

Authors
  1. W. Weltner Jr.
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  2. R. J. Van Zee
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Editor information

Editors and Affiliations

  1. Quantum Theory Project, University of Florida, USA

    Rodney J. Bartlett

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© 1985 D. Reidel Publishing Company

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Weltner, W., Van Zee, R.J. (1985). Molecular Information from ESR Spectra: Transition Metal Molecules. In: Bartlett, R.J. (eds) Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-5474-8_1

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  • DOI: https://doi.org/10.1007/978-94-009-5474-8_1

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-8917-3

  • Online ISBN: 978-94-009-5474-8

  • eBook Packages: Springer Book Archive

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