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Publications in Theoretical Chemistry

Modulation of Electronic Properties in Laterally and Commensurately Repeating Graphene and Boron Nitride Composite Nanostructures

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2015English

Probing the Interaction at the Nano–Bio Interface Using Raman Spectroscopy: ZnO Nanoparticles and Adenosine Triphosphate Biomolecules

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2014English

QBMG: Quasi-Biogenic Molecule Generator With Deep Recurrent Neural Network

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

Hydrodynamics in Clay Nanopores

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2011English

Well-Ordered Molybdenum Oxide Layers on Au(111): Preparation and Properties

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2013English

Energy Band Alignment of BiVO4 From Photoelectron Spectroscopy of Solid-State Interfaces

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2018English

Issue Publication Information

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2017English

DockRMSD: An Open-Source Tool for Atom Mapping and RMSD Calculation of Symmetric Molecules Through Graph Isomorphism

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

Mechanistic Studies on the Ring-Opening Polymerisation of D,l-Lactide With Zinc Guanidine Complexes

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

Quantitative Analysis of the Banned Food Dye Sudan-1 Using Surface Enhanced Raman Scattering With Multivariate Chemometrics†

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2010English

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