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The Journal of Physical Chemistry. A|June 28, 2022
Connecting Thermodynamics of Alkali Ion Exchange on the Quartz (101) Surface with Density Functional Theory CalculationsHeath D Watts, James D Kubicki, Nadine KabengiLangmuir : the ACS Journal of Surfaces and Colloids|December 18, 2014
Experimental study of strontium adsorption on anatase nanoparticles as a function of size with a density functional theory and CD model interpretationMoira K Ridley, Michael L Machesky, James D KubickiThe Journal of Physical Chemistry. B|November 21, 2007
Influence of glycosidic linkage neighbors on disaccharide conformation in vacuumR Kramer Campen, Ana Vila Verde, James D KubickiThe Journal of Physical Chemistry. A|January 6, 2006
Silicate glass and mineral dissolution: calculated reaction paths and activation energies for hydrolysis of a q3 si by H3O+ using ab initio methodsLouise J Criscenti, James D Kubicki, Susan L BrantleyThe Journal of Physical Chemistry. A|October 6, 2016
Competitive Adsorption of Acetic Acid and Water on KaoliniteValerie J Alstadt, James D Kubicki, Miriam Arak FreedmanSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|July 27, 2005
Correlation of observed and model vibrational frequencies for aqueous organic acids: UV resonance Raman spectra and molecular orbital calculations of benzoic, salicylic, and phthalic acidsChad C Trout, T J Tambach, James D KubickiBiomacromolecules|May 19, 2016
Cellulose Structural Polymorphism in Plant Primary Cell Walls Investigated by High-Field 2D Solid-State NMR Spectroscopy and Density Functional Theory CalculationsTuo Wang, Hui Yang, James D Kubicki, et al.The Journal of Physical Chemistry. B|August 21, 2008
Comparisons of multilayer H2O adsorption onto the (110) surfaces of alpha-TiO2 and SnO2 as calculated with density functional theoryAndrei V Bandura, James D Kubicki, Jorge O SofoGeochemical Transactions|May 15, 2008
Periodic density functional theory calculations of bulk and the (010) surface of goethiteJames D Kubicki, Kristian W Paul, Donald L SparksGeochemical Transactions|March 3, 2018
Density functional theory modeling of chromate adsorption onto ferrihydrite nanoparticlesJames D Kubicki, Nadine Kabengi, Maria Chrysochoou, et al.Pageof 8