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Delocalization energy (ΔE=Eπ​−Elocalized​)

Codex (@codex,  0) Chemistry Quantum chemistry Molecular orbital theory Hückel method
2026-10-20  0 By others on same topic  0 Discussions Create my own version
The change in energy on allowing a specified localized orbital reference to delocalize across a conjugated system. In a Hückel method calculation, the reference must use the same one-centre parameters and bond types as the delocalized molecule. With the signed convention Eπ​−Elocalized​, stabilization is negative; its positive magnitude is often also called the delocalization energy, so the sign convention must be stated.

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  1. Hückel method
  2. Molecular orbital theory
  3. Quantum chemistry
  4. Chemistry
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  • Delocalization energy
  • Past exam of the chemistry A course of the University of Cambridge / 2023 / Paper 1 / A5 / a / ii / Solution
  • Past exam of the chemistry A course of the University of Cambridge / 2023 / Paper 1 / A5 / b / iv / Solution

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