Effect of molecular constitution and conformation on positron binding and annihilation in alkanes.

@article{Swann2020EffectOM,
  title={Effect of molecular constitution and conformation on positron binding and annihilation in alkanes.},
  author={A R Swann and Gleb Gribakin},
  journal={The Journal of chemical physics},
  year={2020},
  volume={153 18},
  pages={
          184311
        }
}
The model-potential approach previously developed by the authors to study positron interactions with molecules is used to calculate the positron binding energy for n-alkanes (CnH2n+2) and the corresponding cycloalkanes (CnH2n). For n-alkanes, the dependence of the binding energy on the conformation of the molecule is investigated, with more compact structures showing greater binding energies. As a result, thermally averaged binding energies for larger alkanes (n ≳ 9) show a strong temperature… 

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