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Found 3 from your keywords: Subject : "Density functional theory"
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Computational study of the structure and properties of bicyclo[3.1.1] heptane derivatives for new high-energy density compounds with low impact sensitivity

Computational study of the structure and properties of bicyclo[3.1.1] heptane derivatives for new high-energy density compounds with low impact sensitivity

Computational investigation of double nitrogen doping on graphene

Computational investigation of double nitrogen doping on graphene

Are beryllium-containing biphenyl derivatives efficient anion sponges?

Are beryllium-containing biphenyl derivatives efficient anion sponges?