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What Is the Nature of Supramolecular Bonding? Comprehensive NBO/NRT Picture of Halogen and Pnicogen Bonding in RPH(2)···IF/FI Complexes (R = CH(3), OH, CF(3), CN, NO(2))
We employ a variety of natural bond orbital (NBO) and natural resonance theory (NRT) tools to comprehensively investigate the nature of halogen and pnicogen bonding interactions in RPH(2)···IF/FI binary complexes (R = CH(3), OH, CF(3), CN, and NO(2)) and the tuning effects of R-substituents. Though...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6600247/ https://www.ncbi.nlm.nih.gov/pubmed/31159347 http://dx.doi.org/10.3390/molecules24112090 |