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Publications in Theoretical Chemistry

Charge Carrier Dynamics in Cs2AgBiBr6 Double Perovskite

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2018English

Electrochemical Behavior of Chlorine on Platinum Microdisk and Screen-Printed Electrodes in a Room Temperature Ionic Liquid

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2015English

Using ATTO Dyes to Probe the Photocatalytic Activity of Au–CdS Nanoparticles

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2016English

Chemlistem: Chemical Named Entity Recognition Using Recurrent Neural Networks

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2018English

Mechanistic DFT Studies – Helicate-Type Complexes With Different Alcylic Spacers

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2012English

A Big Data Approach to the Ultra-Fast Prediction of DFT-calculated Bond Energies

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2013English

Effect of Cavity Architecture on the Surface-Enhanced Emission From Site-Selective Nanostructured Cavity Arrays

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2012English

Physical Modeling of Photoelectrochemical Hydrogen Production Devices

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2015English

Recognition Tunneling Measurement of the Conductance of DNA Bases Embedded in Self-Assembled Monolayers†

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2010English

Kinetics of CO2Reduction Over Nonstoichiometric Ceria

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2015English

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