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- Ab initio study and NMR analysis of the complexion of citric acid with ion lithium
- Universidade Estadual Paulista (UNESP)
- Universidade Federal de São Carlos (UFSCar)
- Quantum mechanics calculations at the ab initio HF/3-21G* level were carried out with Nuclear Magnetic Resonance (NMR) measurements to characterize citric acid and lithium interactions. The results indicate the formation of a tridentate organometallic compound with one lithium and one citric acid molecule and a tridentate and bidentate compound of two lithium atoms and one citric acid molecule. The results are in agreement with the experimental and theoretical data. (C) 1999 Elsevier B.V. B.V. All rights reserved.
- Journal of Molecular Structure-theochem. Amsterdam: Elsevier B.V., v. 493, p. 309-318, 1999.
- Elsevier B.V.
- ab initio
- citric acid
- Acesso restrito
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