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Publications in Theoretical Chemistry

Structural Characterization of the EtOH–TiCl4–MgCl2Ziegler–Natta Precatalyst

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2016English

Colloidal Nanoplatelet/Conducting Polymer Hybrids: Excitonic and Material Properties

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2016English

Second Harmonic Scattering Defined Topological Classes for Nano-Objects

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2019English

HIVprotI: An Integrated Web Based Platform for Prediction and Design of HIV Proteins Inhibitors

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

Structural and Vibrational Study of Pseudocubic CdIn2Se4under Compression

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2014English

Optical Conductivity of Mayenite: From Insulator to Metal

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2015English

CO Adsorption on Graphite-Like ZnO Bilayers Supported on Cu(111), Ag(111) and Au(111) Surfaces

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2017English

Prediction of the Partition Coefficient Between Air and Body Compartments From the Chemical Structure

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

Structure of Surface Entrance Sites for Li Intercalation Into TiO2Nanoparticles, Nanosheets, and Mesoporous Architectures With Application for Li-Ion Batteries

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2016English

Structural and Vibrational Properties of CdAl2S4under High Pressure: Experimental and Theoretical Approach

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2014English

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