Benchmark rate constants by the hyperquantization algorithm. The F + H2 reaction for various potential energy surfaces: features of the entrance channel and of the transition state, and low temperature reactivity
Vincenzo Aquilanti, Simonetta Cavalli, Dario De Fazio, Alessandro Volpi, Antonio Aguilar, Josep Maria LucasТом:
308
Рік:
2005
Мова:
english
Сторінки:
17
DOI:
10.1016/j.chemphys.2004.03.027
Файл:
PDF, 478 KB
english, 2005