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Substituent Effects in Multivalent Halogen Bonding Complexes: A Combined Theoretical and Crystallographic Study
In this manuscript, we combined ab initio calculations (RI-MP2/def2-TZVPD level of theory) and a search in the CSD (Cambridge Structural Database) to analyze the influence of aromatic substitution in charge-assisted multivalent halogen bonding complexes. We used a series of benzene substituted iodin...
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| Autori principali: | , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
MDPI AG
2017-12-01
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| Serie: | Molecules |
| Soggetti: | |
| Accesso online: | https://www.mdpi.com/1420-3049/23/1/18 |
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