Molecular orbital and DFT studies on water exchange mechanisms of metal ions

van Eldik R, Clark T, Hanauer H (2003)

Publication Type: Journal article

Publication year: 2003

Journal

Coordination Chemistry Reviews Elsevier

Publisher: Elsevier

Pages Range: 233-253

Journal Issue: 238-239

DOI: 10.1016/S0010-8545(02)00296-5

Abstract

An overview of recent molecular orbital theory and density functional theory studies on water exchange reactions of metal ions and complexes in solution is presented. The different theoretical techniques used are reviewed and representative examples are discussed. The mechanistic insight gained is discussed in reference to available experimental data and the predictive nature of the applied techniques is highlighted. © 2002 Elsevier Science B.V. All rights reserved.

Authors with CRIS profile

Rudi van Eldik Naturwissenschaftliche Fakultät Timothy Clark Computer-Chemie-Centrum

How to cite

APA:

van Eldik, R., Clark, T., & Hanauer, H. (2003). Molecular orbital and DFT studies on water exchange mechanisms of metal ions. Coordination Chemistry Reviews, 238-239, 233-253. https://dx.doi.org/10.1016/S0010-8545(02)00296-5

MLA:

van Eldik, Rudi, Timothy Clark, and Hans Hanauer. "Molecular orbital and DFT studies on water exchange mechanisms of metal ions." Coordination Chemistry Reviews 238-239 (2003): 233-253.

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