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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...

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Detalles Bibliográficos
Autores principales: Iribarren, Iñigo, Trujillo, Cristina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
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