A DFT approach for simple and solvent assisted-proton movement: Biurea as a case of study

Published 2016 View Full Article

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Title
A DFT approach for simple and solvent assisted-proton movement: Biurea as a case of study
Authors
Keywords
Biurea, Prototropic, Solvent effect, B3LYP, Tautomerism, Proton transfer
Journal
Computational and Theoretical Chemistry
Volume 1084, Issue -, Pages 67-74
Publisher
Elsevier BV
Online
2016-03-19
DOI
10.1016/j.comptc.2016.03.009

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