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SCC-DFTB-PIMD Method To Evaluate a Multidimensional Quantum Free-Energy Surface for a Proton-Transfer Reaction | Journal of Chemical Theory and Computation
2D−3D Transition for Cationic and Anionic Gold Clusters: A Kinetic Energy Density Functional Study | Journal of the American Chemical Society
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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
Biomedicines | Free Full-Text | Nanotechnology as a Promising Approach to Combat Multidrug Resistant Bacteria: A Comprehensive Review and Future Perspectives
Energy curves involved in the parameterization of the repulsion energy... | Download Scientific Diagram
Potential energy curves for benzene (bz) and C60 on graphene for LDA, a... | Download Scientific Diagram