selected publications
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academic article
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Calculation of Entropy of Adsorption for Small Molecules on Mineral Surfaces.
The Journal of Physical Chemistry C.
122.
2018
Insights into the Pore-Scale Mechanism for the Low-Salinity Effect: Implications for Enhanced Oil Recovery.
Energy & Fuels.
32.
2018
Micelle-enabled clean and selective sulfonylation of polyfluoroarenes in water under mild conditions.
Green Chemistry.
20.
2018
Prediction of aliphatic and aromatic oil-water interfacial tension at temperatures >100 °C using COSMO-RS.
Fluid Phase Equilibria.
476.
2018
Structure of Nanoparticles Derived from Designer Surfactant TPGS‐750‐M in Water, As Used in Organic Synthesis.
Chemistry - A European Journal.
24.
2018
The effect of solvation and temperature on the adsorption of small organic molecules on calcite.
Physical Chemistry Chemical Physics.
20.
2018
The mechanisms of crystal growth inhibition by organic and inorganic inhibitors.
Nature Communications.
9.
2018
A Quantum Mechanically Derived Force Field To Predict CO 2 Adsorption on Calcite {10.4} in an Aqueous Environment.
The Journal of Physical Chemistry C.
121.
2017
Calcite Wettability in the Presence of Dissolved Mg 2+ and SO 4 2–.
Energy & Fuels.
31.
2017
Elements of Eoarchean life trapped in mineral inclusions.
Nature.
548.
2017
Hydrolytic Stability of 3-Aminopropylsilane Coupling Agent on Silica and Silicate Surfaces at Elevated Temperatures..
ACS Applied Materials & Interfaces.
9.
2017
Predicting CO2-H2O Interfacial Tension Using COSMO-RS..
Journal of Chemical Theory and Computation.
13.
2017
Probing the Surface Charge on the Basal Planes of Kaolinite Particles with High-Resolution Atomic Force Microscopy..
Langmuir.
33.
2017
Salinity-Dependent Adhesion Response Properties of Aluminosilicate (K-Feldspar) Surfaces.
Energy & Fuels.
31.
2017
A Microkinetic Model of Calcite Step Growth.
Angewandte Chemie.
128.
2016
A Microkinetic Model of Calcite Step Growth.
Angewandte Chemie International Edition.
55.
2016
Calcite Growth Kinetics: Dependence on Saturation Index, Ca 2+ :CO 3 2– Activity Ratio, and Surface Atomic Structure.
Crystal Growth & Design.
16.
2016
Could Atomic-Force Microscopy Force Mapping Be a Fast Alternative to Core-Plug Tests for Optimizing Injection-Water Salinity for Enhanced Oil Recovery in Sandstone?.
Plastics Engineering.
21.
2016
Cover Picture: HandaPhos: A General Ligand Enabling Sustainable ppm Levels of Palladium‐Catalyzed Cross‐Couplings in Water at Room Temperature (Angew. Chem. Int. Ed. 16/2016).
Angewandte Chemie International Edition.
55.
2016
Density functional theory with modified dispersion correction for metals applied to molecular adsorption on Pt(111).
Physical Chemistry Chemical Physics.
18.
2016
Functional Group Adsorption on Calcite: I. Oxygen Containing and Nonpolar Organic Molecules.
The Journal of Physical Chemistry C.
120.
2016
Functional Group Adsorption on Calcite: II. Nitrogen and Sulfur Containing Organic Molecules.
The Journal of Physical Chemistry C.
120.
2016
HandaPhos: A General Ligand Enabling Sustainable ppm Levels of Palladium‐Catalyzed Cross‐Couplings in Water at Room Temperature.
Angewandte Chemie International Edition.
55.
2016
HandaPhos: A General Ligand Enabling Sustainable ppm Levels of Palladium‐Catalyzed Cross‐Couplings in Water at Room Temperature.
Angewandte Chemie.
128.
2016
Is bicarbonate stable in and on the calcite surface?.
Geochimica et Cosmochimica Acta.
176.
2016
Modelling how incorporation of divalent cations affects calcite wettability–implications for biomineralisation and oil recovery.
Scientific Reports.
6.
2016
Titelbild: HandaPhos: A General Ligand Enabling Sustainable ppm Levels of Palladium‐Catalyzed Cross‐Couplings in Water at Room Temperature (Angew. Chem. 16/2016).
Angewandte Chemie.
128.
2016
Direct observation of ionic structure at solid-liquid interfaces: a deep look into the Stern Layer.
Scientific Reports.
4.
2015
Specific ion effects on the hydrophobic interaction of benzene self-assembled monolayers.
Physical Chemistry Chemical Physics.
17.
2015
The effect of ionic strength on oil adhesion in sandstone – the search for the low salinity mechanism.
Scientific Reports.
5.
2015
Adhesion of alkane as a functional group on muscovite and quartz: dependence on pH and contact time..
Langmuir.
30.
2014
First-Principles Prediction of Liquid/Liquid Interfacial Tension..
Journal of Chemical Theory and Computation.
10.
2014
How Naturally Adsorbed Material on Minerals Affects Low Salinity Enhanced Oil Recovery.
Energy & Fuels.
28.
2014
Incorporation of monovalent cations in sulfate green rust..
Inorganic Chemistry.
53.
2014
Infrared spectroscopy and density functional theory investigation of calcite, chalk, and coccoliths--do we observe the mineral surface?.
The Journal of Physical Chemistry A.
118.
2014
Predicting hydration energies for multivalent ions.
Journal of Computational Chemistry.
35.
2014
Predicting the pKa and stability of organic acids and bases at an oil-water interface..
Langmuir.
30.
2014
Strontium, nickel, cadmium, and lead substitution into calcite, studied by density functional theory..
Langmuir.
30.
2014
Surface Tension Alteration on Calcite, Induced by Ion Substitution.
The Journal of Physical Chemistry C.
118.
2014
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conference paper
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hide from search
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Density Functional Theory with Modified Dispersion Correction for Metals Applied to Self-Assembled Monolayers of Thiols on Au(111).
Journal of Theoretical Chemistry.
2013
Energies of the adsorption of functional groups to calcium carbonate polymorphs: the importance of -OH and -COOH groups..
Langmuir.
2013
High surface area calcite.
Journal of Crystal Growth.
2013
Predicting pKa for proteins using COSMO-RS.
PeerJ.
2013