2017•Journal of Molecular StructureRequires access

Benchmark study of bond dissociation energy of Si X (X F, Cl, Br, N, O, H and C) bond using density functional theory (DFT)

Sahar, Alina Bari, Muhammad Irfan, Zeenat Zara, Bertil Eliasson, Khurshid Ayub, Javed Iqbal M

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Key concepts: Chemistry, Density functional theory, Basis set, Bond-dissociation energy, Halogen, Hybrid functional, Dissociation (chemistry), Computational chemistry

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Benchmark study of bond dissociation energy of Si X (X F, Cl, Br, N, O, H and C) bond using density functional theory (DFT) — Research Paper | ScholarLens