Dynamic Potential Barrier Effects in Hydrogen Tunneling in Trans-cis Isomerizations
Abstract
Most treatments of barrier tunneling make use of simplifying assumptions, such as one-dimensional paths. As chemists, we are often interested in processes that occur in polyatomic molecules, thus the tunneling processes of interest are often multi-dimensional. Makri and Miller have presented a method for treating tunneling in multi-dimensional systems semiclassically. However, it is often necessary and appropriate to calculate tunneling corrections by assuming that it occurs along some special 'tunneling direction', for example, along a normal mode direction
Document Details
- Document Type
- Technical Report
- Publication Date
- May 07, 1993
- Accession Number
- ADA267085
Entities
People
- Donald L. Thompson
- Yue Qin
- Zhongzhi Yang
Organizations
- Oklahoma State University–Stillwater