Accession Number : ADA267085


Title :   Dynamic Potential Barrier Effects in Hydrogen Tunneling in Trans-cis Isomerizations


Corporate Author : OKLAHOMA STATE UNIV STILLWATER


Personal Author(s) : Yang, Zhongzhi ; Qin, Yue ; Thompson, Donald L


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/a267085.pdf


Report Date : 07 May 1993


Pagination or Media Count : 6


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


Descriptors :   *TUNNELING , *ISOMERIZATION , MATHEMATICAL MODELS , REPRINTS , TORSION , BENDING MOMENTS , INFRARED SPECTRA , MOLECULAR PROPERTIES , HYDROGEN


Subject Categories : Physical Chemistry
      Atomic and Molecular Physics and Spectroscopy


Distribution Statement : APPROVED FOR PUBLIC RELEASE