Unconventional C—Hlg···H–C (Hlg = Cl, Br, and I) Interactions Involving Organic Halides: A Theoretical Study
In this study, unconventional C—Hlg···H–C (Hlg = Cl, Br, and I) interactions involving sp, sp<sup>2</sup>, and sp<sup>3</sup> organic halides were investigated at the RI-MP2/aug-cc-pVQZ level of theory. Energy Decomposition Analyses (EDA) and Natural Bonding Orbital (NBO) stu...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-11-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/29/23/5606 |
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