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Quasiclassical trajectory calculations compared to quantum mechanical reaction probabilities, rate constants, and activation energies for two different potential surfaces for the collinear reaction H2+I→H+HI, including dependence on initial vibrational state
Gray, Joni C., Truhlar, Donald G., Clemens, Laura, Duff, James W., Chapman, Frank M., Morrell, Glenn O., Hayes, Edward F.Volume:
69
Year:
1978
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.436401
File:
PDF, 1.21 MB
english, 1978