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Efficiency and Suitability when Exploring the Conformational Space of Phase-Transfer Catalysts
[Image: see text] In this study, a complete exploration of the conformational space of different phase-transfer catalysts by means of computational method benchmarking is presented. For this particular research work, only the most significant and relevant conformational analysis approaches have been...
Autores principales: | Iribarren, Iñigo, Trujillo, Cristina |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9709918/ https://www.ncbi.nlm.nih.gov/pubmed/36271836 http://dx.doi.org/10.1021/acs.jcim.2c00934 |
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