Ab initio calculation of the deprotonation constants of an atomistically defined nanometer-sized, aluminium hydroxide oligomer

Author: Wander Matthew C.F.   Shuford Kevin L.   Rustad James R.   Casey William H.  

Publisher: Taylor & Francis Ltd

ISSN: 0892-7022

Source: Molecular Simulation, Vol.39, Iss.3, 2013-03, pp. : 220-227

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