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The Journal of Chemical Physics|June 24, 2010
Redox potentials and pKa for benzoquinone from density functional theory based molecular dynamicsJun Cheng, Marialore Sulpizi, Michiel SprikJournal of Physics. Condensed Matter : an Institute of Physics Journal|March 15, 2011
Acidity constants from DFT-based molecular dynamics simulationsMarialore Sulpizi, Michiel SprikPhysical Chemistry Chemical Physics : PCCP|August 30, 2008
Acidity constants from vertical energy gaps: density functional theory based molecular dynamics implementationMarialore Sulpizi, Michiel SprikAccounts of Chemical Research|November 4, 2014
Redox potentials and acidity constants from density functional theory based molecular dynamicsJun Cheng, Xiandong Liu, Joost VandeVondele, et al.Journal of Chemical Theory and Computation|November 24, 2015
The Silica-Water Interface: How the Silanols Determine the Surface Acidity and Modulate the Water PropertiesMarialore Sulpizi, Marie-Pierre Gaigeot, Michiel SprikJournal of Physics. Condensed Matter : an Institute of Physics Journal|March 8, 2012
Oxide/water interfaces: how the surface chemistry modifies interfacial water propertiesMarie-Pierre Gaigeot, Michiel Sprik, Marialore SulpiziThe Journal of Physical Chemistry Letters|August 21, 2015
Aqueous Redox Chemistry and the Electronic Band Structure of Liquid WaterChristopher Adriaanse, Jun Cheng, Vincent Chau, et al.Journal of the American Chemical Society|April 10, 2009
The electron attachment energy of the aqueous hydroxyl radical predicted from the detachment energy of the aqueous hydroxide anionChristopher Adriaanse, Marialore Sulpizi, Joost VandeVondele, et al.The Journal of Physical Chemistry Letters|August 21, 2015
Vibrational Sum Frequency Generation Spectroscopy of the Water Liquid-Vapor Interface from Density Functional Theory-Based Molecular Dynamics SimulationsMarialore Sulpizi, Mathieu Salanne, Michiel Sprik, et al.The Journal of Chemical Physics|July 5, 2011
The oxidation of tyrosine and tryptophan studied by a molecular dynamics normal hydrogen electrodeFrancesca Costanzo, Marialore Sulpizi, Raffaele Guido Della Valle, et al.Pageof 241