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Publications in Theoretical Chemistry

Controlling Carboxyl Deprotonation on Cu(001) by Surface Sn Alloying

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2013English

Direct Imaging of Atomic-Scale Surface Structures of Brookite TiO2 Nanoparticles by Frequency Modulation Atomic Force Microscopy in Liquid

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2018English

ChemDIS: A Chemical–disease Inference System Based on Chemical–protein Interactions

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2015English

Atomistic Investigations of the Effects of Si/Al Ratio and Al Distribution on the Adsorption Selectivity of N-Alkanes in Brønsted-Acid Zeolites

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2018English

Understanding Local Defects in Li-Ion Battery Electrodes Through Combined DFT/NMR Studies: Application to LiVPO4F

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2017English

HastaLaVista, a Web-Based User Interface for NMR-based Untargeted Metabolic Profiling Analysis in Biomedical Sciences: Towards a New Publication Standard

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2019English

Photocurrent Response From Vertically Aligned Single-Walled Carbon Nanotube Arrays

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2010English

Dealloying of Cobalt From CuCo Nanoparticles Under Syngas Exposure

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2013English

Changing the Usual Interpretation of the Structure and Ground State of Cu2+ Layered Perovskites

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2018English

Impact of Coinage Metal Insertion on the Thermoelectric Properties of GeTe Solid-State Solutions

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2017English

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