Intermolecular interactions in the extraction system nicotinic acid-water-poly(N-vinylpyrrolidone) |
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| Authors: | O V Erina V Yu Khokhlov E V Butyrskaya L S Nechaeva |
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| Institution: | 1707. Voronezh State University, Universitetskaya pl. 1, Voronezh, 394006, Russia
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| Abstract: | Computer simulation of molecular structures in the nicotinic acid-water and nicotinic acid-water-poly(N-vinylpyrrolidone) systems was performed, and the IR spectra of these systems were calculated. The theoretical and experimental IR spectra were compared. Parameters of hydrogen bonds in the studied systems were calculated. |
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