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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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Bibliografske podrobnosti
Main Authors: Hill, J Grant, Hu, Xiaojun
Format: Artigo
Jezik:Inglês
Izdano: WILEY-VCH Verlag 2013
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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