A periodic energy decomposition analysis method for the investigation of chemical bonding in extended systems
Author:
Affiliation:
1. Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Straße, 35032 Marburg, Germany
Funder
Deutsche Forschungsgemeinschaft (DFG)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://scitation.aip.org/deliver/fulltext/aip/journal/jcp/142/19/1.4919943.pdf?itemId=/content/aip/journal/jcp/142/19/10.1063/1.4919943&mimeType=pdf&containerItemId=content/aip/journal/jcp
Reference133 articles.
1. The Chemical Bond
2. First principles materials design for semiconductor spintronics
3. The Nature of the Bonding in Transition-Metal Compounds
4. The role of electronic delocalization in transition metal complexes from the electron localization function and the quantum theory of atoms in molecules viewpoints
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