Trends in R-X bond dissociation energies (R = Me, Et, i-Pr, t-Bu; X = H, CH3, OCH3, OH, F): a surprising shortcoming of density functional theory

Citation

Izgorodina, E, Coote, M & Radom, L 2005, 'Trends in R-X bond dissociation energies (R = Me, Et, i-Pr, t-Bu; X = H, CH3, OCH3, OH, F): a surprising shortcoming of density functional theory', Journal of Physical Chemistry A, vol. 109, no. 33, pp. 7558-7566.

Year

2005

ANU Authors

Field of Research

  • Theoretical And Computational Chemistry Not Elsewhere Classified

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