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Theoretical Insights into the Nature of Halogen Bonding in Prereactive Complexes
Benchmark quality geometries and interaction energies for the prereactive halogen-bonded complexes of dihalogens and ammonia, including hypothetical astatine containing dihalogens, have been produced via explicitly correlated coupled cluster methods. The application of local electron correlation par...
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| Main Authors: | , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
WILEY-VCH Verlag
2013
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3790957/ https://ncbi.nlm.nih.gov/pubmed/23417990 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/chem.201204312 |
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