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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: http://hdl.handle.net/11858/00-001M-0000-0015-3107-9 Version Permalink: http://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: 2002-09
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 17769
ISI: 000179014300004
DOI: 10.1007/s00214-002-0370-x
 Degree: -

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Title: Theoretical Chemistry Accounts
  Alternative Title : Theor. Chem. Acc.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: -
Pages: - Volume / Issue: 108 (3) Sequence Number: - Start / End Page: 150 - 156 Identifier: ISSN: 1432-881X