Determination of reactive properties of 1-butyl-3-methylimidazolium taurate ionic liquid employing DFT calculations

标题
Determination of reactive properties of 1-butyl-3-methylimidazolium taurate ionic liquid employing DFT calculations
作者
关键词
DFT, Ionic liquids, NMR and IR, Molecular electrostatic potential, Averaged local ionization energy, Fukui functions, Bond dissociation energies, Degradation intermediates
出版物
JOURNAL OF MOLECULAR LIQUIDS
Volume 222, Issue -, Pages 796-803
出版商
Elsevier BV
发表日期
2016-07-30
DOI
10.1016/j.molliq.2016.07.094

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