Deformed Transition State Theory: Inclusion of the Tunneling Effect by Euler Exponential, Limit of Validity and Description of Bimolecular Reactions

  • User Editor
  • V. H. Carvalho Ciências Exatas e Tecnológicas, Universidade Estadual de Goiás (UEG), Anápolis
  • V. Aquilanti Università di Perugia, Italy
  • H. C. B. Oliveira Instituto de Química, Universidade de Brasília (UnB)
  • K. C. Mundim Instituto de Química, Universidade de Brasília (UnB)

Referências

1. Limbach, H.-H., Miguel Lopez, J. & Kohen, A. Philos. Trans. R. Soc. B Biol. Sci. 361, 1399–1415 (2006).

2. Benderskii, V. A., Goldanskii, V. I. & Makarov, D. E. Phys. Rep. 233, 195–339 (1993).

3. Caldin, E. F. Chem. Rev. 69, 135–156 (1969).

4. Bell, R. P. The Tunnel Effect in Chemistry. (Champman and Hall, 1980).

5. Quapp, W. & Zech, A. J. Comput. Chem. 31, 573–585 (2009).

6. Tsallis, C. Introduction to Nonextensive Statistical Mechanics: Approaching a Complex World. (Springer, 2009).

7. Silva, V. H. C., Aquilanti, V., de Oliveira, H. C. B. & Mundim, K. C. Chem. Phys. Lett. 590, 201–207 (2013).

8. Christov, S. G. Mol. Eng. 7, 109–147.

9. Barreto, P. R. P., Vilela, A. F. A. & Gargano, R. J. Mol. Struct. 639, 167 – 176 (2003).

10. Wigner, Phys. Rev. 40, 749–759 (1932).

11. Jeong, K. M. & Kaufman, F. J. Phys. Chem. 86, 1808–1815 (1982).

12. Bryukov, M. G., Knyazev, V. D., Lomnicki, S. M., McFerrin, C. A. & Dellinger, B. J. Phys. Chem. A 108, 10464–10472 (2004).

13. Sun, Q., Yang, D. L., Wang, N. S., Bowman, J. M. & Lin, M. C. J. Chem. Phys. 93, 4730–4739 (1990).
Publicado
2015-07-01
Como Citar
Editor, U., Carvalho, V. H., Aquilanti, V., Oliveira, H. C. B., & Mundim, K. C. (2015). Deformed Transition State Theory: Inclusion of the Tunneling Effect by Euler Exponential, Limit of Validity and Description of Bimolecular Reactions. Revista Processos Químicos, 9(18), 226-228. https://doi.org/10.19142/rpq.v9i18.306