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

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.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0015-3107-9 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0018-00CF-5

Genre: Journal Article

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Creators:
Kohout, M.¹, Author
Wagner, F. R.², Author
Grin, Y.³, Author

Affiliations:
1Miroslav Kohout, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863417
2Frank Wagner, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863409
3Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413

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Free keywords: electron localization function; bonding; d orbitals

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.

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Language(s): eng - English

Dates: Date issued: 2002-09

Publication Status: Issued

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Rev. Type: Peer

Identifiers: eDoc: 17769
ISI: 000179014300004
DOI: 10.1007/s00214-002-0370-x

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Title: Theoretical Chemistry Accounts

Alternative Title : Theor. Chem. Acc.

Source Genre: Journal

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Pages: - Volume / Issue: 108 (3) Sequence Number: - Start / End Page: 150 - 156 Identifier: ISSN: 1432-881X