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

Jun Cheng, Xiandong Liu, Joost VandeVondele, Marialore Sulpizi, Michiel Sprik

Research output: Contribution to journalArticle

74 Citations (Scopus)
Original languageEnglish
Pages (from-to)3522-3529
Number of pages8
JournalAccounts of Chemical Research
Volume47
Issue number12
Early online date3 Nov 2014
DOIs
Publication statusPublished - 16 Dec 2014

Cite this

Redox Potentials and Acidity Constants from Density Functional Theory Based Molecular Dynamics. / Cheng, Jun; Liu, Xiandong; VandeVondele, Joost; Sulpizi, Marialore; Sprik, Michiel.

In: Accounts of Chemical Research, Vol. 47, No. 12, 16.12.2014, p. 3522-3529.

Research output: Contribution to journalArticle

Cheng, Jun ; Liu, Xiandong ; VandeVondele, Joost ; Sulpizi, Marialore ; Sprik, Michiel. / Redox Potentials and Acidity Constants from Density Functional Theory Based Molecular Dynamics. In: Accounts of Chemical Research. 2014 ; Vol. 47, No. 12. pp. 3522-3529.
@article{3cd8a012b67745d9bb3f5c7c9a54728c,
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",
note = "PMID: 25365148",
year = "2014",
month = "12",
day = "16",
doi = "10.1021/ar500268y",
language = "English",
volume = "47",
pages = "3522--3529",
journal = "Accounts of Chemical Research",
issn = "0001-4842",
publisher = "American Chemical Society",
number = "12",

}

TY - JOUR

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

Y1 - 2014/12/16

U2 - 10.1021/ar500268y

DO - 10.1021/ar500268y

M3 - Article

VL - 47

SP - 3522

EP - 3529

JO - Accounts of Chemical Research

JF - Accounts of Chemical Research

SN - 0001-4842

IS - 12

ER -