Redox Potentials and Acidity Constants from Density Functional Theory Based Molecular Dynamics

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	3522-3529
Number of pages	8
Journal	Accounts of Chemical Research
Volume	47
Issue number	12
Early online date	3 Nov 2014
DOIs	https://doi.org/10.1021/ar500268y
Publication status	Published - 16 Dec 2014

PMID: 25365148

Access to Document

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title = "Redox Potentials and Acidity Constants from Density Functional Theory Based Molecular Dynamics",

author = "Jun Cheng and Xiandong Liu and Joost VandeVondele and Marialore Sulpizi and Michiel Sprik",

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T1 - Redox Potentials and Acidity Constants from Density Functional Theory Based Molecular Dynamics

AU - Cheng, Jun

AU - Liu, Xiandong

AU - VandeVondele, Joost

AU - Sulpizi, Marialore

AU - Sprik, Michiel

N1 - PMID: 25365148

PY - 2014/12/16

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VL - 47

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EP - 3529

JO - Accounts of Chemical Research

JF - Accounts of Chemical Research

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