Determination of p<i>K</i><sub>a</sub> Values via <i>ab initio</i> Molecular Dynamics and its Application to Transition Metal-Based Water Oxidation Catalysts

Determination of p<i>K</i><sub>a</sub> Values via <i>ab initio</i> Molecular Dynamics and its Application to Transition Metal-Based Water Oxidation Catalysts

The <inline-formula> <math display="inline"> <semantics> <mrow> <mi mathvariant="normal">p</mi> <msub> <mi>K</mi> <mi mathvariant="normal">a</mi> </msub> </mrow> </semantics> </math&g...

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Bibliographic Details
Main Authors:	Mauro Schilling, Sandra Luber
Format:	Article
Language:	English
Published:	MDPI AG 2019-06-01
Series:	Inorganics
Subjects:	bluemoon <i>ab initio</i> molecular dynamics p<i>K</i><sub>a</sub> density functional theory water splitting
Online Access:	https://www.mdpi.com/2304-6740/7/6/73

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