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Publications in Theoretical Chemistry

Large-Diameter Single-Wall Carbon Nanotubes Formed Alongside Small-Diameter Double-Walled Carbon Nanotubes

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2015English

Enhanced Rate-Capability and Cycling-Stability of 5 v SiO2- And Polyimide-Coated Cation Ordered LiNi0.5Mn1.5O4 Lithium-Ion Battery Positive Electrodes

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2017English

Chain-Assisted Charge Transport in Semicrystalline Conjugated Polymers

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2016English

Plasmon Enhanced Raman From Ag Nanopatterns Made Using Periodically Poled Lithium Niobate and Periodically Proton Exchanged Template Methods

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2012English

Influence of Molecule-Surface and Molecule-Molecule Interactions on Two-Dimensional Patterns Formed by Functionalised Aromatic Molecules

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2018English

The Semantic Architecture of the World-Wide Molecular Matrix (WWMM)

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2011English

Virtual Screening Using Structure-Based Consensus Pharmacophore Models and Ensemble Docking Based on MD-generated Conformations

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2011English

Chiral Steering of Molecular Organization in the Limit of Weak Adsorbate−Substrate Interactions: Enantiopure and Racemic Tartaric Acid Domains on Ag(111)

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2010English

Atomic-Scale Modeling of the Dynamics of Titanium Oxidation

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2012English

High Aspect Ratio Gold Nanorods Grown With Platinum Seeds

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2015English

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