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Quantum Chemistry Insight into the Interactions Between Deep Eutectic Solvents and SO(2)

A systematic research work on the rational design of task specific Deep Eutectic Solvents (DES) has been carried out via density functional theory (DFT) in order to increase knowledge on the key interaction parameters related to efficient SO(2) capture by DES at a molecular level. A total of 11 diff...

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Detalhes bibliográficos
Publicado no:Molecules
Main Authors: Atilhan, Mert, Altamash, Tausif, Aparicio, Santiago
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6720665/
https://ncbi.nlm.nih.gov/pubmed/31443291
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24162963
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