The dispersion energy E disp (in eV) calculated using formula (3) as a... | Download Scientific Diagram
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Computation | Free Full-Text | Periodic DFTB for Supported Clusters: Implementation and Application on Benzene Dimers Deposited on Graphene
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Corrosion inhibition of aluminum current collector by a newly synthesized 5-formyl-8-hydroxyquinoline for aqueous-based battery - ScienceDirect
Boxplot of the absolute atomization energy deviations of the W4-08... | Download Scientific Diagram
Recent progress and challenges on the bismuth-based anode for sodium-ion batteries and potassium-ion batteries - ScienceDirect
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Potential energy curves for benzene (bz) and C60 on graphene for LDA, a... | Download Scientific Diagram
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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arXiv:2209.08184v1 [cond-mat.mtrl-sci] 16 Sep 2022
