All abstracts by James D. Kubicki in conference series: Goldschmidt

(2017) Density Functional Theory Calculations on Mineral Surfaces Compared to Experimental Observations
Kubicki J

(2017) Density Functional Theory Calculations of Oxyanions on Ferrihydrite Nanoparticles
Kubicki J

(2016) Connecting Observations and Simulations of the Silica-Water Interface
Kubicki J, Boettger J, DelloStritto M, Sofo J & Tielens F

(2016) Oxalate and Fe(II) Adsorption onto the (010) Goethite Surface: A DFT Investigation of Ligand- and Reduction-Promoted Dissolution
Kubicki J, Tunega D & Kraemer S

(2015) Sulfate Complexation on Iron(III) Oxyhydroxide Surfaces and in the Structure of Schwertmannite
Zhu M, Gu C, Wang X, Kubicki J & Feng X

(2015) Structures of Carboxylates on Iron(hydr)oxide Surfaces Studied with FTIR and DFT Calculations
Borowski S, Kubicki J, Kraemer S & Hug S

(2015) Effect of Amino Acids on the Growth Kinetics and Ca Isotopic Composition of Gypsum
Harouaka K, Kubicki J & Fantle M

(2014) CO₂ Hydration/Hydroxylation and the Origin of Carbonate Kinetic Isotope Effects
Boettger J & Kubicki J

(2014) Characterization of Cd²⁺ Surface Complexes on Kaolinite and Gibbsite with Experimental and Theoretical XANES
Small M, Watts H, Govind N, Kubicki J & O'Day P

(2014) Applying Quantum Chemistry to Interpret XAS and NMR of Cd(II) Adsorbed onto Gibbsite and Kaolinite
Watts H, Kubicki J, Mueller K, O'Day P, Govind N, Small M & Poweleit E

(2013) Modeling of TiO₂ Nanoparticles Interactions with Water and Ions
Kubicki J, Sung-Yup K, van Duin A, Ridley M, Machesky M, Hummer D & Kent P

(2013) Experimental and Computational Spectra and Thermodynamics of Biogeochemical Interfaces
Kubicki J & Kabengi N

(2013) Hot CD-MUSIC
Machesky M, Wesolowski D, Ridley M, Predota M, Zhang Z, Fenter P & Kubicki J

(2013) Surface Complexation Modeling of Cation Adsorption by TiO₂ Nanoparticles
Ridley M, Machesky M & Kubicki J

(2013) An Integrated Approach to Build Surface Complexation Models for Chromate on Iron Oxides
Chrysochoou M, Kabengi N, Machesky M, Johnston C & Kubicki J

(2012) Ion Adsorption on Nanocrystalline Anatase Surfaces: Integrating Experimental and Theoretical Studies Through Surface Complexation Modeling
Ridley M, Kubicki J & Machesky M

(2012) Micro- to Macro-Scale Investigations of Manganese in Soil-Plant Systems
Herndon E, Kubicki J & Brantley S

(2011) Influence of Interfacial Water Structure on Surface Protonation and Ion Adsorption at Metal Oxide Surfaces
Machesky M, Wesolowski D, Vlcek L, Mamontov E, Kent P, Predota M, Rosenqvist J, Ridley M, Cummings P, Kubicki J, Sofo J, Kumar N, Lvov S, Bandura A, Fenter P & Zhang Z

(2011) A Comparison of the Reactivity at the Solid-Solution Interface of Nano- and Micro-Crystalline TiO₂ Phases
Ridley M, Machesky M & Kubicki J

(2010) A Combined Computational/Experimental Approach to Understanding the Quartz/Water Interface
Skelton A, Kubicki J, Fenter P, Van Duin A, Wesolowski D & Cummings P

(2010) Attachment of Acidic Amino Acids to Mineral Surfaces: Implications for Prebiotic Chemistry
Sverjensky D, Jonsson C, Jonsson C, Estrada C, Lee N, Klochko K, Cleaves J, Hazen R, Parikh S, Kubicki J & Sparks D

(2010) Comparison of Vibrations of Water on Rutile and Cassiterite Surface
Kumar N, Kent P, Bandura A, Kubicki J & Sofo J

(2010) Mapping the Iron-Binding Site on the Small Tetraheme Cytochrome of Shewanella oneidensis MR-1
Qian Y, Kubicki J & Tien M

(2010) Investigating Silicate Mineral Dissolution with Computational Tools While Crossing Scales
Morrow C, Olsen A, Kubicki J, Mueller K, Brantley S & Cole D

(2010) Density Functional Theory Simulation of Acid Hydrolysis of an SiOSi Linkage on the (101) Surface of Quartz
Kubicki J

(2010) Dynamics of Water Dissociation on Oxides Surfaces: Comparison between Rutile and Cassiterite
Sofo J, Kumar N, Kent P, Bandura A & Kubicki J

(2010) Towards an Accurate Prediction of Surface Protonation Equilibria: Quantifying Interfacial Structure via the Bond Valence-MUSIC Model Framework
Machesky M, Predota M, Vlcek L, Rosenqvist J, Skelton A, Cummings P, Ridley M, Kubicki J, Sofo J, Kumar N, Bandura A & Wesolowski D

(2009) Atomistic Origins of Mineral-Water Interfacial Phenomena and their Relation to Surface Complexation Models
Wesolowski DJ, Bandura AV, Cummings PT, Fenter PA, Kubicki JD, Lvov SN, Machesky ML, Mamontov E, Predota M, Ridley MK, Rosenqvist J, Sofo JO, Vlcek L & Zhang Z

(2009) Hydrogen Bonds and Vibrations of Water on (110) Rutile
Kumar N, Neogi S, Sofo J, Kent P, Bandura A & Kubicki J

(2008) Developing Models to Predict Silicate Mineral Dissolution
Olsen A, Brantley S & Kubicki J

(2008) ChemXSeer: Cyber-Tools for Environmental Chemistry and Geochemistry
Mueller K, Mitra P, Giles CL, Garrison B, Kubicki J & Bandstra J

(2008) Quantum Mechanical Insights on Controls of Fe Isotope Fractionation
Domagal-Goldman S & Kubicki J

(2008) Quantum Mechanical Calculation of Hydrogen Isotope Exchange Thermodynamics and Kinetics on Organic Compounds
Kubicki J, Trout C & Freeman K

(2007) The Rutile (110)-Electrolyte Solution Interface to 250C: A Surface Complexation Synthesis of Titration, ab Initio, MD and X-Ray Spectroscopic Results
Machesky M, Ridley M, Wesolowski D, Palmer D, Predota M, Vlcek L, Kubicki J, Sofo J, Bandura A & Zhang Z

(2007) Comparison of TiO₂ and SnO₂ (100) and (110) Hydrated Surfaces via Molecular Modeling
Kubicki J, Bandura A & Sofo J

(2007) Nucleation, Growth, and Phase Transformation of Titanium Oxides in Hydrothermal Solution
Hummer D, Heaney P, Kubicki J & Post J

(2006) Influence of hydroxyl-water interaction on structural transformations during Cs⁺ exchange in microporous H-CST
Celestian A, Parise J, Narayan J, Kubicki J & Clearfield A

(2005) Modeling Zn²⁺ Adsorption at the Rutile-Water Interface to Hydrothermal Conditions
Machesky M, Wesolowski D, Fenter P, Zhang Z & Kubicki J

(2005) Structure of Zn²⁺ at Rutile TiO<->2<$> (110)-Aqueous Solution Interface
Zhang Z, Fenter P, Kelly S, Catalano J, Kubicki J, Bandura A, Wesolowski D, Machesky M, Sturchio N & Bedzyk M

(2005) Effect of Drying on Mineral Surface Chemistry Using ATR-FTIR Spectroscopy and Quantum Mechanical Modeling
Borda M, Paul K, Kubicki J & Sparks D

(2004) Ion Adsorption at the Rutile-Water Interface to Hydrothermal Conditions
Machesky M, Wesolowski D, Ridley M, Palmer D, Fenter P, Zhang Z, Kubicki J & Predota M

(2002) The Effect of Mineral Mesoporosity on Amino Acid Adsorption
Zimmerman A, Goyne K, Chorover J, Kubicki J, Komarneni S & Brantley S

(2001) Ab Initio Calculation of ¹⁷O, ²⁷Al and ²⁹Si NMR Parameters in Hydrous Silica and Na- Aluminosilicate Glasses
Kubicki JD & Sykes DG

(2001) Influence of Polymerization on Silicate Glass and Mineral Dissolution: Calculated Reaction Paths and Activation Energies Using ab Initio Methods
Criscenti LJ, Brantley SL & Kubicki JD

(2001) Modeling Interactions of Aqueous Silica and Sorbitol: Complexation, Polymerization and Association
Kubicki JD & Heaney PJ

(2001) The Effect of Mesopores on Organic Adsorption to Mineral Analogues
Zimmerman AR, Brantley SL, Kubicki JD, Chorover J & Goyne KW

(2001) Role of Polymerization in the Dissolution of Nepheline, Jadeite, and Albite Glasses: Toward Better Models for Aluminosilicate Dissolution
Brantley SL, Hamilton J, Pantano CG, Criscenti L & Kubicki JD

(2001) Solid-State NMR Investigations of the Dissolution of Sodium Aluminosilicates Under Ambient Conditions
Tsomaia N, Mueller KT, Brantley SL, Hamilton J, Pantano CG, Criscenti L & Kubicki J