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Reliability of the pair-defect-sum approximation for the strength of valence-bond orbitals

The pair-defect-sum approximation to the bond strength of a hybrid orbital (angular wave functions only) is compared to the rigorous value as a function of bond angle for seven types of bonding situations, with between three and eight bond directions equivalent by geometrical symmetry operations and...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Veröffentlicht in:Proc Natl Acad Sci U S A
Hauptverfasser: Pauling, Linus, Herman, Zelek S., Kamb, Barclay J.
Format: Artigo
Sprache:Inglês
Veröffentlicht: National Academy of Sciences 1982
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC345969/
https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16593167/
https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.79.4.1361
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