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AB Initio study of reversible hydrogen storage in metal decorated CALIX[4]ARENES and porous materials

Kumar, S. (2021-09-07)
Fundamental studies of H2 interaction with MAl3 clusters [M = Li, Sc, Ti, Zr]

Samolia, M.; Kumar, T. J. D. (2021-09-22)

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- Density functional theory (2)
- Hydrogen storage materials (2)
- Adsorption energy (1)
- Born- Openheimer molecular dynamic simulations (1)
- Calix[4]arene (1)
- Complex metal hydrides (1)
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Date Issued
- 2021 (2)