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Published in 2019 at "Chinese Journal of Chemical Physics"
DOI: 10.1063/1674-0068/cjcp1903060
Abstract: Raman spectra of 1,2,4-triazole-3-carboxylate (TC− anion) and its ring-deprotonated derivative (dpTC2− dianion) in aqueous solutions were measured respectively. The density functional theory calculations were performed using MN15 functional and PCM solvent model to investigate their…
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Keywords:
triazole carboxylate;
raman;
spectra triazole;
solution ... See more keywords