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A Buckycatcher in Solution—A Computational Perspective
In this work, we study the buckycatcher (C(60)H(28)) in solution using quantum chemical models. We investigate the conformational equilibria in several media and the effects that molecules of solvent might have in interconversion barriers between the different conformers. These are studied in a hypo...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10056437/ https://www.ncbi.nlm.nih.gov/pubmed/36985812 http://dx.doi.org/10.3390/molecules28062841 |