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The dispersion energy E disp (in eV) calculated using formula (3) as a... | Download Scientific Diagram
Potential energy curves for benzene (bz) and C60 on graphene for LDA, a... | Download Scientific Diagram
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Energy curves involved in the parameterization of the repulsion energy... | Download Scientific Diagram
Tuning the Catalytic Activity of Ru@Pt Core–Shell Nanoparticles for the Oxygen Reduction Reaction by Varying the Shell Thickness | The Journal of Physical Chemistry C
PDF) Photo-Rechargeable Li Ion Batteries using TiS2 Cathode
Bulk Properties of Transition Metals: A Challenge for the Design of Universal Density Functionals | Journal of Chemical Theory and Computation
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2D−3D Transition for Cationic and Anionic Gold Clusters: A Kinetic Energy Density Functional Study | Journal of the American Chemical Society
Binding Energy and Work Function of Organic Electrode Materials Phenanthraquinone, Pyromellitic Dianhydride and Their Derivatives Adsorbed on Graphene | ACS Applied Materials & Interfaces
SCC-DFTB-PIMD Method To Evaluate a Multidimensional Quantum Free-Energy Surface for a Proton-Transfer Reaction | Journal of Chemical Theory and Computation
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Metal-semiconductor core–shell nanomaterials for energy applications - ScienceDirect
