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Rotational Spectroscopy Meets Quantum Chemistry for Analyzing Substituent Effects on Non-Covalent Interactions: The Case of the Trifluoroacetophenone-Water Complex

The most stable isomer of the 1:1 complex formed by 2,2,2-trifluoroacetophenone and water has been characterized by combining rotational spectroscopy in supersonic expansion and state-of-the-art quantum-chemical computations. In the observed isomer, water plays the double role of proton donor and ac...

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Detalhes bibliográficos
Publicado no:Molecules
Main Authors: Lei, Juncheng, Alessandrini, Silvia, Chen, Junhua, Zheng, Yang, Spada, Lorenzo, Gou, Qian, Puzzarini, Cristina, Barone, Vincenzo
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7660205/
https://ncbi.nlm.nih.gov/pubmed/33113920
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules25214899
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