Subtle hydrogen bonds: Benchmarking with OH stretching fundamentals of vicinal diols in the gas phase
نویسندگان
چکیده
The correlation between substitution and OH vibrational frequency in vicinal diols is explored experimentally the DFT performance describing trends analysed.
منابع مشابه
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2021
ISSN: ['1463-9076', '1463-9084']
DOI: https://doi.org/10.1039/d1cp03367k