A Model Halogen-Bonded Network as a Potential Tube-like Host for Li<sup>+</sup>: A DFT Study
The formation of a halogen-bonded network using four NHX-(CH<sub>2</sub>)<sub>3</sub>-NX-(CH<sub>2</sub>)<sub>3</sub>-NHX molecules (X = Cl, Br, or I) is investigated using DFT. The self-assembly of the four basic motifs results in a tube-like structur...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-12-01
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| Series: | Inorganics |
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| Online Access: | https://www.mdpi.com/2304-6740/12/1/16 |