Theoretical (density functional theory) studies on the structural, electronic and catalytic properties of the ionic liquid 4-amino-1H-1,2,4-triazolium nitrate
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DOI: 10.1016/j.molliq.2018.08.041
Abstract: Abstract Density functional theory calculations using B3LYP/6-311++G(2d,2p) level was used for investigation the geometry, electronic properties and catalytic activity of the ionic liquid 4-amino-1H-1,2,4-triazolium nitrate. Quantum theory of atoms in molecules adequately described the geometry… read more here.
Keywords: ionic liquid; theory; triazolium nitrate; triazolium ... See more keywords