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Computational Study on the Structure, Stability, and Electronic Feature Analyses of Trapped Halocarbons inside a Novel Bispyrazole Organic Molecular Cage
[Image: see text] Computational experiments on a novel crystal (Bharadwaj et al. Cryst. Growth Des.2019, 19, 369–375) having a series of seven host–guest complexes (HGCs) where the host species belong to the family of a novel bispyrazole organic cryptand (BPOC) and their structural, stability, and t...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8154030/ https://www.ncbi.nlm.nih.gov/pubmed/34056325 http://dx.doi.org/10.1021/acsomega.1c01019 |