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- 2 Born- Openheimer molecular dynami...
- 2 Density functional theory
- 2 Global reactivity index
- 2 Hirshfeld charge analysis
- 2 Hydrogen storage materials
- 2 Niu-Rao-Jena charge polarization
- 1 Desorption temperature
- 1 Electrostatic potential map
- 1 Electrostatic potential map, Deso...
- 1 Metal-inorganic framework
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