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Publications in Theoretical Chemistry

The Interplay Between Structure and Function in Redox-Based Resistance Switching

Faraday Discussions
Theoretical ChemistryPhysical
2019English

Perspective: Computational Modeling of Accurate Cellular Membranes With Molecular Resolution

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2018English

Reducing Spurious Flow in Simulations of Electrokinetic Phenomena

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2016English

The Intensity Correlation Function in Evanescent Wave Scattering

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2010English

Switching-Off Toluene Formation in the Solvent-Free Oxidation of Benzyl Alcohol Using Supported Trimetallic Au–Pd–Pt Nanoparticles

Faraday Discussions
Theoretical ChemistryPhysical
2013English

Measuring Induction Times and Crystal Nucleation Rates

Faraday Discussions
Theoretical ChemistryPhysical
2015English

Effect of the Surface Charge Distribution on the Fluid Phase Behavior of Charged Colloids and Proteins

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2016English

A Comparative DFT Study of the Mechanical and Electronic Properties of Greigite Fe3S4 and Magnetite Fe3O4

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

Path Integral Monte Carlo Study of Quantum-Hard Sphere Solids

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

Free Energy Surface of ST2 Water Near the Liquid-Liquid Phase Transition

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

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