John Perdew and Adrienn Ruzsinszky have published a fantastically readable summary of density functional theory in International Journal of Quantum Chemistry, who, very commendably, has made it freely available.
Dimethyl ketal hydrolysis catalysed by hydroxide and hydronium ions
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In the preceding post, I looked at a computed mechanism for the hydrolysis
of a ketal by water. Of course, pure water consists of three potential
catalys...
2 weeks ago