A QM/MM direct dynamics trajectory investigation of trimethylene decomposition in an argon bath

Journal of Physical Chemistry B

Volumn 103, Issue 18, 1999, Pages 3691-3698

  Bolton, Kim ^a,c   Hase, William L ^a   Doubleday Jr , Charles ^b  

^a WAYNE STATE UNIVERSITY   (United States)

^b Howard Hughes Medical Institute   (United States)

^c UNIVERSITY OF GOTHENBURG   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000870614     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp982988d     Document Type: Article

References (14)

1. Schlag, E. W.; Rabinovitch, B. S. J. Am. Chem. Soc. 1960, 82, 5996.
2. Waage, E. V.; Rabinovitch, B. S. J. Phys. Chem. 1972, 76, 1965.
3. Berson, J. A.; Pedersen, L. D. J. Am. Chem. Soc. 1975, 97, 238.
4. Berson, J. A.; Pedersen, L. D.; Carpenter, B. K. J. Am. Chem. Soc. 1976, 98, 122.
5. Rabinovitch, B. S. Chem. Phys. 1982, 67, 201.
6. Cianciosi, S. J.; Ragunathan, N.; Freedman, T. B.; Nafie, L. A.; Lewis, D. K.; Glenar, D. A.; Baldwin, J. E. J. Am. Chem. Soc. 1991, 113, 1864.
7. Freedman, T. B.; Cianciosi, S. J.; Ragunathan, N.; Baldwin, J. E.; Nafie, L. A. J. Am. Chem. Soc. 1991, 113, 8298.
8. Baldwin, J. E.; Cianciosi, S. J. J. Am. Chem. Soc. 1992, 114, 9401.
9. Baldwin, J. E.; Cianciosi, S. J.; Glenar, D. A.; Hoffmann, G. J.; Wu, I-W.; Lewis, D. K. J. Am. Chem. Soc. 1992, 114, 9408.
10. Pedersen, S.; Herek, J. L.; Zewail, A. H. Science 1994, 266, 1359.
11. Smith, F. T. J. Chem. Phys. 1958, 29, 235.
12. Benson, S. W. J. Chem. Phys. 1961, 34, 521.
13. Hoffmann, R. J. Am. Chem. Soc. 1968, 90, 1475.
14. O'Neal, H. E.; Benson, S. W. J. Phys. Chem. 1968, 72, 1866.