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Electrochemical specific adsorption of halides on Cu 111, 100, and 211: A Density Functional Theory studyMcCrum, Ian T.; Akhade, Sneha A.; Janik, Michael J. · Electrochimica Acta · 2015
Electrochemical and density functional theory study of bis(cyclopentadienyl) mono(β-diketonato) titanium(IV) cationic complexesAnnemarie Kuhn; Jeanet Conradie · 2010
Acrylonitrile on Cu(100): A density functional theoretical study of adsorption and electrochemical graftingGeskin, V. M.; Lazzaroni, R.; Mertens, M.; Jéro^me, R.; Brédas, J. L. · The Journal of Chemical Physics · 1996
Electrochemical Reduction of Oxygen on Gold Surfaces: A Density Functional Theory Study of Intermediates and Reaction PathsVassilev, P.; Koper, M.T.M. · Journal of Physical Chemistry C · 2007
Density-functional theory study of interactions between water and carbon monoxide adsorbed on platinum under electrochemical conditionsJuan A. Santana; Yasuyuki Ishikawa · 2009
Density functional theory study of the electrochemical oligomerization of thiophene: transition states for radical–radical and radical–neutral pathwaysM. Yurtsever; E. Yurtsever · 2004
Interaction of Chlorpyrifos with Purine Bases: A Study of Electrochemical Measurement and Density Functional Theory CalculationSong, L.Z.; Zhou, W.Y.; Wang, X.L.; He, J.; Han, K.D.; Niu, L.J. · Asian Journal of Chemistry · 2015