The reactions CH[sub n]D[sub 4−n]+OH→P and CH[sub 4]+OD→CH[sub 3]+HOD as a test of current direct dynamics computational methods to determine variational transition-state rate constants. I.
Masgrau, Laura, González-Lafont, Àngels, Lluch, José M.Volume:
114
Year:
2001
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.1335655
File:
PDF, 444 KB
english, 2001