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Quantum chemical studies on tautomerism and basicity behavior of some 1,2,4-triazole derivatives
tautomerism acidity constant nucleophilicity
2010/12/29
The acidity constants, relative stabilities, and tautomeric equilibrium constants of some 1,2,4-triazole derivatives were determined using the density functional theory (DFT) with the B3LYP method and...
Quantum chemical studies on tautomerism and basicity behavior of some 1,2,4-triazole derivatives
1,2,4-Triazole proton affinity tautomerism acidity constant nucleophilicity
2010/12/20
The acidity constants, relative stabilities, and tautomeric equilibrium constants of some 1,2,4-triazole derivatives were determined using the density functional theory (DFT) with the B3LYP method and...
Structure of synthetic monoclinic Na-rich birnessite and hexagonal birnessite: II. Results from chemical studies and EXAFS spectroscopy
synthetic monoclinic Na-rich birnessite hexagonal birnessite II. Results chemical studies EXAFS spectroscopy
2012/4/6
SolutionchemicaltechniqueswereusedtostudytheconversionofsyntheticNa-richbuserite(NaBu)tohexagonal(H-exchanged)birnessite(HBi)atlowpH.Thelow-pH
reactionisbroadlycharacterizedbytheexchangeofstructuralN...