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Keyword
- density functional theory[remove]7
- OQMD1
- SrTiO31
- active site proximity1
- band engineering1
- catalysis1
- chemical warfare agent1
- complex networks1
- degree of rate control1
- electronic structure1
- energy1
- first-principles1
- group theory1
- high-pressure1
- high-throughput1
- hybrid molecular beam epitaxy1
- hydrolysis1
- light alkanes1
- materials discovery1
- metal-organic frameworks1