Articles with "spectroscopy quantum" as a keyword



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Non-covalent interactions of imidazolium-based ionic liquids with model pyrrolidones revealed by FTIR spectroscopy and quantum chemical model calculations

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Published in 2020 at "Journal of Molecular Liquids"

DOI: 10.1016/j.molliq.2020.113445

Abstract: Abstract Certain ionic liquids (ILs), such as 1-butyl-3-methylimidazolium chloride (bmimCl) and 1-ethyl-3-methylimidazolium acetate (emimAc), are potent cellulose solvents, but the high viscosity of the resulting solutions is problematic in many applications. Organic co-solvents are often… read more here.

Keywords: quantum chemical; model; chemical model; spectroscopy ... See more keywords
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Combined NMR Spectroscopy and Quantum-Chemical Calculations in Fluorescent 1,2,3-Triazole-4-carboxylic Acids Fine Structures Analysis

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Published in 2023 at "International Journal of Molecular Sciences"

DOI: 10.3390/ijms24108947

Abstract: The peculiarities of the optical properties of 2-aryl-1,2,3-triazole acids and their sodium salts were investigated in different solvents (1,4-dioxane, dimethyl sulfoxide DMSO, methanol MeOH) and in mixtures with water. The results were discussed in terms… read more here.

Keywords: spectroscopy; spectroscopy quantum; chemical calculations; quantum chemical ... See more keywords