Redox potentials and acidity constants from density functional theory based molecular dynamics

Accounts of Chemical Research

Volumn 47, Issue 12, 2014, Pages 3522-3529

  Cheng, Jun ^a,b   Liu, Xiandong ^b,c   VandeVondele, Joost ^d   Sulpizi, Marialore ^e   Sprik, Michiel ^b  

^a UNIVERSITY OF ABERDEEN   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c NANJING UNIVERSITY   (China)

^d ETH ZURICH   (Switzerland)

^e JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84918514958     PISSN: 00014842     EISSN: 15204898     Source Type: Journal    
DOI: 10.1021/ar500268y     Document Type: Article

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