Definitive thermochemistry and kinetics of the interconversions among conformers of n-butane and n-pentane

@article{Tbis2018DefinitiveTA,
  title={Definitive thermochemistry and kinetics of the interconversions among conformers of n-butane and n-pentane},
  author={Roland T{\'o}bi{\'a}s and Attila G. Cs{\'a}sz{\'a}r and L{\'a}szl{\'o} Gyevi-Nagy and Gyula Tasi},
  journal={Journal of computational chemistry},
  year={2018},
  volume={39 8},
  pages={424-437}
}
The focal-point analysis (FPA) technique is used for the definitive characterization of conformational interconversion parameters, including activation energy barriers, activation free energies, and kinetic rate coefficients at 298 K, of two n-alkanes, n-butane, and n-pentane, yielding the first complete analysis of their interconversion kinetics. The FPA… CONTINUE READING