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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
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Corrosion inhibition of aluminum current collector by a newly synthesized 5-formyl-8-hydroxyquinoline for aqueous-based battery - ScienceDirect
Nanomaterials | Free Full-Text | Evaluation of Machine Learning Interatomic Potentials for the Properties of Gold Nanoparticles
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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
Energy curves of CH4, calculated with Erep parameterized at three... | Download Scientific Diagram
Engineering Chemo-Mechanical Properties of Zn Surfaces via Alucone Coating | The Journal of Physical Chemistry C
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