Electron localization function for transition-metal compounds

Kohout, M.; Wagner, F. R.; Grin, Y.

doi:10.1007/s00214-002-0370-x

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Electron localization function for transition-metal compounds

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Kohout, M.
Miroslav Kohout, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Wagner, F. R.
Frank Wagner, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Grin, Y.
Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Kohout, M., Wagner, F. R., & Grin, Y. (2002). Electron localization function for transition-metal compounds. Theoretical Chemistry Accounts, 108(3), 150-156. doi:10.1007/s00214-002-0370-x.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0015-3107-9

Abstract

The analysis of the electron localization function of molecules and solids needs to involve the atomic core regions as well to reveal a more detailed insight into the bonding situation.