TY - JOUR
T1 - A reduced dimension quantum reactive scattering study of OH + CO⇌H + CO2
AU - Schatz, George C.
AU - Dyck, Jeff
N1 - Funding Information:
This research was supported by NSF Grant CHE-9016490. Computations were done at the National Center for Supercomputing Applications (NCSA).
PY - 1992/1/3
Y1 - 1992/1/3
N2 - We develop a two-degree of freedom model of OH+CO⇌H+CO2 based on a realistic potential surface. Trajectory and RRKM results for this model are similar to their full dimensional counterparts. Accurate quantum studies of the model show that quantum and nonstatistical effects play an important role in determining HOCO lifetimes.
AB - We develop a two-degree of freedom model of OH+CO⇌H+CO2 based on a realistic potential surface. Trajectory and RRKM results for this model are similar to their full dimensional counterparts. Accurate quantum studies of the model show that quantum and nonstatistical effects play an important role in determining HOCO lifetimes.
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U2 - 10.1016/0009-2614(92)85080-T
DO - 10.1016/0009-2614(92)85080-T
M3 - Article
AN - SCOPUS:44049117875
VL - 188
SP - 11
EP - 15
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 1-2
ER -