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Publications in Theoretical Chemistry

An Equation of State for the Thermodynamic Properties of Cyclohexane

Journal of Physical and Chemical Reference Data
Theoretical ChemistryChemistryPhysicsAstronomyPhysical
2014English

Silver Deposition Onto Modified Silicon Substrates

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2017English

Marked Increase in Hydrophobicity of Monolithic Carbon Cryogels via HCl Aging of Precursor Resorcinol–Formaldehyde Hydrogels: Application to 1-Butanol Recovery From Dilute Aqueous Solutions

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2014English

Adaptation of Formal Concept Analysis for the Systematic Exploration of Structure-Activity and Structure-Selectivity Relationships

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2010English

Iron-Based Perovskites for Catalyzing Oxygen Evolution Reaction

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2018English

Role of Ethanolamine on the Stability of a Sol–Gel ZnO Ink

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2017English

Zeolite Surface as a Catalyst Support Material for Synthesis of Single-Walled Carbon Nanotubes

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2011English

Ruthenium Sensitizer With Thienothiophene-Linked Carbazole Antennas in Conjunction With Liquid Electrolytes for Dye-Sensitized Solar Cells

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2011English

HawkRank: A New Scoring Function for Protein–protein Docking Based on Weighted Energy Terms

Journal of Cheminformatics
Computer GraphicsInformation SciencesLibraryTheoretical ChemistryComputer Science ApplicationsComputer-Aided DesignPhysical
2017English

Visual Analytics in Cheminformatics: User-Supervised Descriptor Selection for QSAR Methods

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

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