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...
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| Udgivet i: | Proc Natl Acad Sci U S A |
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| Principais autores: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
National Academy of Sciences
1982
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| Fag: | |
| Online adgang: | 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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