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Correlation between C=O Stretching Vibrational Frequency and pK(a) Shift of Carboxylic Acids

[Image: see text] Identifying the pK(a) values of aspartic acid (Asp) and glutamic acid (Glu) in active sites is essential for understanding enzyme reaction mechanisms. In this study, we investigated the correlation between the C=O stretching vibrational frequency (ν(C=O)) of protonated carboxylic a...

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Detalles Bibliográficos
Autores principales:	Saito, Keisuke, Xu, Tianyang, Ishikita, Hiroshi
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9289881/ https://www.ncbi.nlm.nih.gov/pubmed/35763701 http://dx.doi.org/10.1021/acs.jpcb.2c02193

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