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The top documents tagged [principles calculations]
The Lithium Battery Explorer Part 1 - Introduction to Lithium-ion Batteries
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First principles design of lithium superionic conductors
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Topological States Ruled by Stacking Faults in Bi2Se3 and Bi2Te3
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Aro Lattice Parameter
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First-principles investigation of the size-dependent structural stability and electronic properties of O-vacancies at the ZnO polar and non-polar surfaces
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The Phonon Dispersion of Graphite Revisited
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