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ChemInform Abstract: Beyond the Halogen Bond: Examining the Limits of Extended Polybromide Networks Through Quantum‐Chemical Investigations. Issue 21 (6th May 2016)
Record Type:
Journal Article
Title:
ChemInform Abstract: Beyond the Halogen Bond: Examining the Limits of Extended Polybromide Networks Through Quantum‐Chemical Investigations. Issue 21 (6th May 2016)
Main Title:
ChemInform Abstract: Beyond the Halogen Bond: Examining the Limits of Extended Polybromide Networks Through Quantum‐Chemical Investigations.
Abstract: Reaction energies at 0 K for the association of Br ‐ + 0.5(n‐1)Br2 → [Brn ] ‐ are determined by DFT calculations on the BMK‐D3BJ/6‐311 + G(3df, 2p)//B3‐LYP/def2‐SVP level.