THE ADDITION AND DISSOCIATION REACTION H + CO REVERSIBLE HCO .3. IMPLEMENTATION OF ISOLATED RESONANCE RRKM THEORY WITH EXACT QUANTUM STUDIES FOR J = O

被引:18
作者
CHO, SW
WAGNER, AF
GAZDY, B
BOWMAN, JM
机构
[1] ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
[2] EMORY UNIV,DEPT CHEM,ATLANTA,GA 30322
关键词
D O I
10.1021/j100177a052
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We report the implementation of isolated resonance RRKM theory for the titled reaction with resonance characterizations derived from exact quantum dynamics calculations. Only nonrotating HCO is considered, i.e., total angular momentum of zero. The sensitivity of the resonance widths on the pressure dependence in the approach to the low pressure limit is examined. This discussion includes the effect of tunneling i.e., very narrow resonances, on the value of the low-pressure limit.
引用
收藏
页码:9897 / 9900
页数:4
相关论文
共 19 条