H atom transfer of collinear OH…O system

• 来源期刊: 中国化学（英文版）
• 年，卷（期）: 2000,（3）
• 页码范围: 303-308
• 页数: 6页
• 语种: 英文

摘要

A quantum mechanical calculation was performed to study the hydrogen atom transfer of collinear OH…O/OD…O system,for which Delves ' coordinates and R-matrix propagation method were applied in a Melius-Blint potential energy surface. The calculation result showed that the state-state H atom transfer probability comported strong oscillation phenomena and collision delay time of the title system was in the fs-ps time scale. The kinetic isotope effect was calculated in this work too.